2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid

C13H7ClF2O2 — CID 105395623

IUPAC2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1cc(F)ccc1Cl
InChIInChI=1S/C13H7ClF2O2/c14-12-4-2-8(16)5-10(12)9-3-1-7(15)6-11(9)13(17)18/h1-6H,(H,17,18)
InChIKeyAHUFTPRZBQSLTN-UHFFFAOYSA-N
MW268.65 g/mol
LogP3.98
Rot. Bonds2

About 2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid

2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid (PubChem CID 105395623) has the molecular formula C13H7ClF2O2 and a molecular weight of 268.65 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
PubChem CID105395623
Molecular FormulaC13H7ClF2O2
Molecular Weight268.65 g/mol
Exact Mass268.01
IUPAC Name2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1cc(F)ccc1Cl
InChIInChI=1S/C13H7ClF2O2/c14-12-4-2-8(16)5-10(12)9-3-1-7(15)6-11(9)13(17)18/h1-6H,(H,17,18)
InChIKeyAHUFTPRZBQSLTN-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-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
CID 53227485
5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225681
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid
CID 159908135
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
5-fluoro-2-(2,3,4,6-tetrachlorophenyl)benzoic acid
CID 105349853
4-(2-chloro-5-fluorophenyl)benzoic acid
CID 53426192
2-(3-chlorophenyl)-5-fluorobenzoic acid
CID 53211695
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid
CID 53211223
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid (CID 105395623) is 2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1-c1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid?
The InChIKey is AHUFTPRZBQSLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2O2/c14-12-4-2-8(16)5-10(12)9-3-1-7(15)6-11(9)13(17)18/h1-6H,(H,17,18).
What are the key properties of 2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid?
2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic 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 2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid is sourced from PubChem (CID 105395623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).