5-chloro-2-(3,5-difluorophenyl)benzoic acid

C13H7ClF2O2 — CID 82107209

IUPAC5-chloro-2-(3,5-difluorophenyl)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H7ClF2O2/c14-8-1-2-11(12(5-8)13(17)18)7-3-9(15)6-10(16)4-7/h1-6H,(H,17,18)
InChIKeyMKRIEOVXXHKZRA-UHFFFAOYSA-N
MW268.65 g/mol
LogP3.98
Rot. Bonds2

About 5-chloro-2-(3,5-difluorophenyl)benzoic acid

5-chloro-2-(3,5-difluorophenyl)benzoic acid (PubChem CID 82107209) has the molecular formula C13H7ClF2O2 and a molecular weight of 268.65 g/mol. Its IUPAC name is 5-chloro-2-(3,5-difluorophenyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(3,5-difluorophenyl)benzoic acid
PubChem CID82107209
Molecular FormulaC13H7ClF2O2
Molecular Weight268.65 g/mol
Exact Mass268.01
IUPAC Name5-chloro-2-(3,5-difluorophenyl)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H7ClF2O2/c14-8-1-2-11(12(5-8)13(17)18)7-3-9(15)6-10(16)4-7/h1-6H,(H,17,18)
InChIKeyMKRIEOVXXHKZRA-UHFFFAOYSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
2-(3-chlorophenyl)-5-fluorobenzoic acid
CID 53211695
4-(3-chloro-5-fluorophenyl)-3-fluorobenzoic acid
CID 53226890
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid
CID 53225648
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid
CID 3286939
4-(3,5-difluorophenyl)-2-fluorobenzoic acid
CID 53211091
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
4-chloro-2-(2,3,4-trifluorophenyl)benzoic acid
CID 114024694
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,5-difluorophenyl)benzoic acid?
The IUPAC name of 5-chloro-2-(3,5-difluorophenyl)benzoic acid (CID 82107209) is 5-chloro-2-(3,5-difluorophenyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-(3,5-difluorophenyl)benzoic acid?
The canonical SMILES for 5-chloro-2-(3,5-difluorophenyl)benzoic acid is O=C(O)c1cc(Cl)ccc1-c1cc(F)cc(F)c1.
What is the InChIKey of 5-chloro-2-(3,5-difluorophenyl)benzoic acid?
The InChIKey is MKRIEOVXXHKZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2O2/c14-8-1-2-11(12(5-8)13(17)18)7-3-9(15)6-10(16)4-7/h1-6H,(H,17,18).
What are the key properties of 5-chloro-2-(3,5-difluorophenyl)benzoic acid?
5-chloro-2-(3,5-difluorophenyl)benzoic acid has a molecular weight of 268.65 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,5-difluorophenyl)benzoic acid is sourced from PubChem (CID 82107209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).