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MFCD06201193 molecular structure
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1-fluoro-2-methyl-4-(prop-2-en-1-yl)benzene

ChemBase ID: 100194
Molecular Formular: C10H11F
Molecular Mass: 150.1927432
Monoisotopic Mass: 150.08447857
SMILES and InChIs

SMILES:
Fc1c(cc(cc1)CC=C)C
Canonical SMILES:
C=CCc1ccc(c(c1)C)F
InChI:
InChI=1S/C10H11F/c1-3-4-9-5-6-10(11)8(2)7-9/h3,5-7H,1,4H2,2H3
InChIKey:
IERUUNJQRMHGSC-UHFFFAOYSA-N

Cite this record

CBID:100194 http://www.chembase.cn/molecule-100194.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluoro-2-methyl-4-(prop-2-en-1-yl)benzene
IUPAC Traditional name
1-fluoro-2-methyl-4-(prop-2-en-1-yl)benzene
Synonyms
3-(4-Fluoro-3-methylphenyl)prop-1-ene
5-Allyl-2-fluorotoluene
MDL Number
MFCD06201193
PubChem SID
162087789
PubChem CID
2759035

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2759035 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7279398  LogD (pH = 7.4) 3.7279398 
Log P 3.7279398  Molar Refractivity 45.6029 cm3
Polarizability 17.025179 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Toxic expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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