[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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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).