2,2-difluoro-2-(4-fluorophenyl)ethanol

C8H7F3O — CID 23237843

IUPAC2,2-difluoro-2-(4-fluorophenyl)ethanol
SMILESOCC(F)(F)c1ccc(F)cc1
InChIInChI=1S/C8H7F3O/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-4,12H,5H2
InChIKeyXGRLFKUJAPXWHO-UHFFFAOYSA-N
MW176.14 g/mol
LogP1.91
Rot. Bonds2

About 2,2-difluoro-2-(4-fluorophenyl)ethanol

2,2-difluoro-2-(4-fluorophenyl)ethanol (PubChem CID 23237843) has the molecular formula C8H7F3O and a molecular weight of 176.14 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(4-fluorophenyl)ethanol
PubChem CID23237843
Molecular FormulaC8H7F3O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name2,2-difluoro-2-(4-fluorophenyl)ethanol
SMILESOCC(F)(F)c1ccc(F)cc1
InChIInChI=1S/C8H7F3O/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-4,12H,5H2
InChIKeyXGRLFKUJAPXWHO-UHFFFAOYSA-N
XLogP1.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-fluorophenyl)ethanol?
The IUPAC name of 2,2-difluoro-2-(4-fluorophenyl)ethanol (CID 23237843) is 2,2-difluoro-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(4-fluorophenyl)ethanol is OCC(F)(F)c1ccc(F)cc1.
What is the InChIKey of 2,2-difluoro-2-(4-fluorophenyl)ethanol?
The InChIKey is XGRLFKUJAPXWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-4,12H,5H2.
What are the key properties of 2,2-difluoro-2-(4-fluorophenyl)ethanol?
2,2-difluoro-2-(4-fluorophenyl)ethanol has a molecular weight of 176.14 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 23237843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).