1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol

C14H11F3O — CID 62802529

IUPAC1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H11F3O/c1-14(18,9-2-4-10(15)5-3-9)12-7-6-11(16)8-13(12)17/h2-8,18H,1H3
InChIKeyYQLYEFUZGPOTGL-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.36
Rot. Bonds2

About 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol

1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol (PubChem CID 62802529) has the molecular formula C14H11F3O and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
PubChem CID62802529
Molecular FormulaC14H11F3O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H11F3O/c1-14(18,9-2-4-10(15)5-3-9)12-7-6-11(16)8-13(12)17/h2-8,18H,1H3
InChIKeyYQLYEFUZGPOTGL-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol (CID 62802529) is 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol is CC(O)(c1ccc(F)cc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol?
The InChIKey is YQLYEFUZGPOTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O/c1-14(18,9-2-4-10(15)5-3-9)12-7-6-11(16)8-13(12)17/h2-8,18H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol?
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol has a molecular weight of 252.24 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 62802529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).