[2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol

C14H18F2O — CID 115043683

IUPAC[2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol
SMILESOCc1ccccc1C(C(F)F)C1CCCC1
InChIInChI=1S/C14H18F2O/c15-14(16)13(10-5-1-2-6-10)12-8-4-3-7-11(12)9-17/h3-4,7-8,10,13-14,17H,1-2,5-6,9H2
InChIKeyAYFBCDRRHKGYRY-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.72
Rot. Bonds4

About [2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol

[2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol (PubChem CID 115043683) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is [2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol
PubChem CID115043683
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name[2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol
SMILESOCc1ccccc1C(C(F)F)C1CCCC1
InChIInChI=1S/C14H18F2O/c15-14(16)13(10-5-1-2-6-10)12-8-4-3-7-11(12)9-17/h3-4,7-8,10,13-14,17H,1-2,5-6,9H2
InChIKeyAYFBCDRRHKGYRY-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol
CID 115035529
[2-(1-cyclopentyl-2-fluoroethyl)phenyl]methanol
CID 115033478
2-(1-cyclohexyl-2,2-difluoroethyl)phenol
CID 115043682
[2-[cyclopentyl(fluoro)methyl]phenyl]methanamine
CID 115025382
[2-(1-cyclopentylethylamino)phenyl]methanol
CID 62632467
[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
CID 115592493
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
CID 131209275
cyclohexyl-(2-prop-2-enylphenyl)methanol
CID 102302622
1-butyl-2-(1-cyclohexylethyl)benzene
CID 139768984
2-(1-cyclobutyl-2-hydroxyethyl)phenol
CID 115019132
[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride
CID 162422631

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol?
The IUPAC name of [2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol (CID 115043683) is [2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol.
What is the SMILES notation for [2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol?
The canonical SMILES for [2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol is OCc1ccccc1C(C(F)F)C1CCCC1.
What is the InChIKey of [2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol?
The InChIKey is AYFBCDRRHKGYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c15-14(16)13(10-5-1-2-6-10)12-8-4-3-7-11(12)9-17/h3-4,7-8,10,13-14,17H,1-2,5-6,9H2.
What are the key properties of [2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol?
[2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol has a molecular weight of 240.29 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol is sourced from PubChem (CID 115043683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).