2,6-difluoro-4-(2-fluorophenyl)benzoic acid

C13H7F3O2 — CID 46312128

IUPAC2,6-difluoro-4-(2-fluorophenyl)benzoic acid
SMILESO=C(O)c1c(F)cc(-c2ccccc2F)cc1F
InChIInChI=1S/C13H7F3O2/c14-9-4-2-1-3-8(9)7-5-10(15)12(13(17)18)11(16)6-7/h1-6H,(H,17,18)
InChIKeyNUVVBSJGMZYXFZ-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.47
Rot. Bonds2

About 2,6-difluoro-4-(2-fluorophenyl)benzoic acid

2,6-difluoro-4-(2-fluorophenyl)benzoic acid (PubChem CID 46312128) has the molecular formula C13H7F3O2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2,6-difluoro-4-(2-fluorophenyl)benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-4-(2-fluorophenyl)benzoic acid
PubChem CID46312128
Molecular FormulaC13H7F3O2
Molecular Weight252.19 g/mol
Exact Mass252.04
IUPAC Name2,6-difluoro-4-(2-fluorophenyl)benzoic acid
SMILESO=C(O)c1c(F)cc(-c2ccccc2F)cc1F
InChIInChI=1S/C13H7F3O2/c14-9-4-2-1-3-8(9)7-5-10(15)12(13(17)18)11(16)6-7/h1-6H,(H,17,18)
InChIKeyNUVVBSJGMZYXFZ-UHFFFAOYSA-N
XLogP3.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-fluorophenyl)phthalic acid
CID 71119653
3-chloro-5-(2-fluorophenyl)benzoic acid
CID 46314465
3-amino-5-(2-fluorophenyl)benzoic acid
CID 53225005
2-(3,4-difluorophenyl)-6-fluorobenzoic acid
CID 53225881
2,6-difluoro-4-pyridin-2-ylbenzoic acid
CID 176582239
2,6-difluoro-4-(2-fluorophenyl)aniline
CID 46314357
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346
3,5-difluoro-4-(2-fluorophenyl)benzoic acid
CID 170919050
2-fluoro-4-(2-fluorophenyl)benzamide
CID 46312270
1,4-bis(2-fluorophenyl)benzene
CID 58121760
5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 46314102
3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid
CID 75177363

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(2-fluorophenyl)benzoic acid?
The IUPAC name of 2,6-difluoro-4-(2-fluorophenyl)benzoic acid (CID 46312128) is 2,6-difluoro-4-(2-fluorophenyl)benzoic acid.
What is the SMILES notation for 2,6-difluoro-4-(2-fluorophenyl)benzoic acid?
The canonical SMILES for 2,6-difluoro-4-(2-fluorophenyl)benzoic acid is O=C(O)c1c(F)cc(-c2ccccc2F)cc1F.
What is the InChIKey of 2,6-difluoro-4-(2-fluorophenyl)benzoic acid?
The InChIKey is NUVVBSJGMZYXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O2/c14-9-4-2-1-3-8(9)7-5-10(15)12(13(17)18)11(16)6-7/h1-6H,(H,17,18).
What are the key properties of 2,6-difluoro-4-(2-fluorophenyl)benzoic acid?
2,6-difluoro-4-(2-fluorophenyl)benzoic acid has a molecular weight of 252.19 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(2-fluorophenyl)benzoic acid is sourced from PubChem (CID 46312128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).