[4-(3,3-difluorocyclopentyl)phenyl]methanol

C12H14F2O — CID 115027818

IUPAC[4-(3,3-difluorocyclopentyl)phenyl]methanol
SMILESOCc1ccc(C2CCC(F)(F)C2)cc1
InChIInChI=1S/C12H14F2O/c13-12(14)6-5-11(7-12)10-3-1-9(8-15)2-4-10/h1-4,11,15H,5-8H2
InChIKeyJSJKNGJBGMMILT-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.08
Rot. Bonds2

About [4-(3,3-difluorocyclopentyl)phenyl]methanol

[4-(3,3-difluorocyclopentyl)phenyl]methanol (PubChem CID 115027818) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is [4-(3,3-difluorocyclopentyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(3,3-difluorocyclopentyl)phenyl]methanol
PubChem CID115027818
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name[4-(3,3-difluorocyclopentyl)phenyl]methanol
SMILESOCc1ccc(C2CCC(F)(F)C2)cc1
InChIInChI=1S/C12H14F2O/c13-12(14)6-5-11(7-12)10-3-1-9(8-15)2-4-10/h1-4,11,15H,5-8H2
InChIKeyJSJKNGJBGMMILT-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene
CID 59166669
[4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol
CID 166644981
1-(bromomethyl)-4-(3,3-difluorocyclobutyl)benzene
CID 134163283
[4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol
CID 67158902
[4-(1-methylpiperidin-4-yl)phenyl]methanol
CID 58229057
[1-amino-3-(4-bromophenyl)cyclopentyl]methanol
CID 77272966
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364
[(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
CID 25009740
[1-[(4-cyclopentylphenyl)methyl]-3-fluoropyrrolidin-3-yl]methanol
CID 126813375
1-cyclohexyl-4-fluorobenzene;phenylmethanol
CID 143134294
[4-(1-methylpiperidin-3-yl)phenyl]methanol
CID 58393220
[(1S,3R)-1-amino-3-[4-(3-phenylprop-1-ynyl)phenyl]cyclopentyl]methanol
CID 68937868

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-difluorocyclopentyl)phenyl]methanol?
The IUPAC name of [4-(3,3-difluorocyclopentyl)phenyl]methanol (CID 115027818) is [4-(3,3-difluorocyclopentyl)phenyl]methanol.
What is the SMILES notation for [4-(3,3-difluorocyclopentyl)phenyl]methanol?
The canonical SMILES for [4-(3,3-difluorocyclopentyl)phenyl]methanol is OCc1ccc(C2CCC(F)(F)C2)cc1.
What is the InChIKey of [4-(3,3-difluorocyclopentyl)phenyl]methanol?
The InChIKey is JSJKNGJBGMMILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c13-12(14)6-5-11(7-12)10-3-1-9(8-15)2-4-10/h1-4,11,15H,5-8H2.
What are the key properties of [4-(3,3-difluorocyclopentyl)phenyl]methanol?
[4-(3,3-difluorocyclopentyl)phenyl]methanol has a molecular weight of 212.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-difluorocyclopentyl)phenyl]methanol is sourced from PubChem (CID 115027818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).