4,5-difluoro-2-(2-fluorophenyl)phenol

C12H7F3O — CID 46312140

IUPAC4,5-difluoro-2-(2-fluorophenyl)phenol
SMILESOc1cc(F)c(F)cc1-c1ccccc1F
InChIInChI=1S/C12H7F3O/c13-9-4-2-1-3-7(9)8-5-10(14)11(15)6-12(8)16/h1-6,16H
InChIKeyXAEVLIDAJZIDGE-UHFFFAOYSA-N
MW224.18 g/mol
LogP3.48
Rot. Bonds1

About 4,5-difluoro-2-(2-fluorophenyl)phenol

4,5-difluoro-2-(2-fluorophenyl)phenol (PubChem CID 46312140) has the molecular formula C12H7F3O and a molecular weight of 224.18 g/mol. Its IUPAC name is 4,5-difluoro-2-(2-fluorophenyl)phenol.

Molecular Properties

Compound Name4,5-difluoro-2-(2-fluorophenyl)phenol
PubChem CID46312140
Molecular FormulaC12H7F3O
Molecular Weight224.18 g/mol
Exact Mass224.04
IUPAC Name4,5-difluoro-2-(2-fluorophenyl)phenol
SMILESOc1cc(F)c(F)cc1-c1ccccc1F
InChIInChI=1S/C12H7F3O/c13-9-4-2-1-3-7(9)8-5-10(14)11(15)6-12(8)16/h1-6,16H
InChIKeyXAEVLIDAJZIDGE-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(2-fluorophenyl)phenol?
The IUPAC name of 4,5-difluoro-2-(2-fluorophenyl)phenol (CID 46312140) is 4,5-difluoro-2-(2-fluorophenyl)phenol.
What is the SMILES notation for 4,5-difluoro-2-(2-fluorophenyl)phenol?
The canonical SMILES for 4,5-difluoro-2-(2-fluorophenyl)phenol is Oc1cc(F)c(F)cc1-c1ccccc1F.
What is the InChIKey of 4,5-difluoro-2-(2-fluorophenyl)phenol?
The InChIKey is XAEVLIDAJZIDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O/c13-9-4-2-1-3-7(9)8-5-10(14)11(15)6-12(8)16/h1-6,16H.
What are the key properties of 4,5-difluoro-2-(2-fluorophenyl)phenol?
4,5-difluoro-2-(2-fluorophenyl)phenol has a molecular weight of 224.18 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(2-fluorophenyl)phenol is sourced from PubChem (CID 46312140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).