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3824-87-1 molecular structure
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2-fluoropropan-1-ol

ChemBase ID: 93648
Molecular Formular: C3H7FO
Molecular Mass: 78.0854832
Monoisotopic Mass: 78.04809306
SMILES and InChIs

SMILES:
OCC(C)F
Canonical SMILES:
CC(CO)F
InChI:
InChI=1S/C3H7FO/c1-3(4)2-5/h3,5H,2H2,1H3
InChIKey:
WKXZJCKWUCBECD-UHFFFAOYSA-N

Cite this record

CBID:93648 http://www.chembase.cn/molecule-93648.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoropropan-1-ol
IUPAC Traditional name
2-fluoropropan-1-ol
Synonyms
2-Fluoro-1-hydroxypropane
2-Fluoropropan-1-ol
CAS Number
3824-87-1
MDL Number
MFCD07777178
PubChem SID
162080333
PubChem CID
13278457

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 13278457 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.335307  H Acceptors
H Donor LogD (pH = 5.5) 0.09898772 
LogD (pH = 7.4) 0.09898767  Log P 0.09898772 
Molar Refractivity 17.2803 cm3 Polarizability 6.682442 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
115°C expand Show data source
Storage Warning
Flammable/Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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