[3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol

C14H11F3O — CID 170919018

IUPAC[3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol
SMILESOCc1ccc(-c2ccccc2F)c(C(F)F)c1
InChIInChI=1S/C14H11F3O/c15-13-4-2-1-3-11(13)10-6-5-9(8-18)7-12(10)14(16)17/h1-7,14,18H,8H2
InChIKeyVSNHODRHSQMBMT-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.92
Rot. Bonds3

About [3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol

[3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol (PubChem CID 170919018) has the molecular formula C14H11F3O and a molecular weight of 252.24 g/mol. Its IUPAC name is [3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol
PubChem CID170919018
Molecular FormulaC14H11F3O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name[3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol
SMILESOCc1ccc(-c2ccccc2F)c(C(F)F)c1
InChIInChI=1S/C14H11F3O/c15-13-4-2-1-3-11(13)10-6-5-9(8-18)7-12(10)14(16)17/h1-7,14,18H,8H2
InChIKeyVSNHODRHSQMBMT-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol?
The IUPAC name of [3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol (CID 170919018) is [3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol?
The canonical SMILES for [3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol is OCc1ccc(-c2ccccc2F)c(C(F)F)c1.
What is the InChIKey of [3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol?
The InChIKey is VSNHODRHSQMBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O/c15-13-4-2-1-3-11(13)10-6-5-9(8-18)7-12(10)14(16)17/h1-7,14,18H,8H2.
What are the key properties of [3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol?
[3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol has a molecular weight of 252.24 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-4-(2-fluorophenyl)phenyl]methanol is sourced from PubChem (CID 170919018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).