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2-(4-ethenylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
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ChemBase ID:
11984
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Molecular Formular:
C11H8F6O
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Molecular Mass:
270.1710392
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Monoisotopic Mass:
270.0479342
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SMILES and InChIs
SMILES:
c1c(ccc(c1)C(C(F)(F)F)(C(F)(F)F)O)C=C
Canonical SMILES:
C=Cc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O
InChI:
InChI=1S/C11H8F6O/c1-2-7-3-5-8(6-4-7)9(18,10(12,13)14)11(15,16)17/h2-6,18H,1H2
InChIKey:
RHDPTOIUYREFCO-UHFFFAOYSA-N
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Cite this record
CBID:11984 http://www.chembase.cn/molecule-11984.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-(4-ethenylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
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IUPAC Traditional name
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2-(4-ethenylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
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Synonyms
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1,1,1,3,3,3-Hexafluoro-2-(4-vinylphenyl)-propan-2-ol
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4-HFA-ST
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4-(1,1,1,3,3,3-Hexafluoro-2-hydroxyprop-2-yl)styrene
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1-Ethenyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxyprop-2-yl)benzene
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1,1,1,3,3,3-Hexafluoro-2-(4-vinylphenyl)propan-2-ol 97%
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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7.423181
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H Acceptors
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1
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H Donor
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1
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LogD (pH = 5.5)
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3.831179
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LogD (pH = 7.4)
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3.5471444
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Log P
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3.8363264
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Molar Refractivity
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53.0202 cm3
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Polarizability
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18.982979 Å3
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Polar Surface Area
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20.23 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Apollo Scientific
PATENTS
PATENTS
PubChem Patent
Google Patent