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117169-30-9 molecular structure
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(1-fluorocyclohexyl)methanol

ChemBase ID: 97742
Molecular Formular: C7H13FO
Molecular Mass: 132.1759232
Monoisotopic Mass: 132.09504326
SMILES and InChIs

SMILES:
FC1(CCCCC1)CO
Canonical SMILES:
OCC1(F)CCCCC1
InChI:
InChI=1S/C7H13FO/c8-7(6-9)4-2-1-3-5-7/h9H,1-6H2
InChIKey:
CLRVUZYFZVVVBC-UHFFFAOYSA-N

Cite this record

CBID:97742 http://www.chembase.cn/molecule-97742.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-fluorocyclohexyl)methanol
IUPAC Traditional name
(1-fluorocyclohexyl)methanol
Synonyms
(1-Fluorocyclohex-1-yl)methanol
1-Fluoro-1-(hydroxymethyl)cyclohexane
1-Fluorocyclohexyl-methanol
(1-Fluorocyclohexyl)Methanol
CAS Number
117169-30-9
PubChem SID
162084301
PubChem CID
18342450

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.039507  H Acceptors
H Donor LogD (pH = 5.5) 1.4054519 
LogD (pH = 7.4) 1.4054519  Log P 1.4054519 
Molar Refractivity 33.7653 cm3 Polarizability 13.238425 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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