2-(3-chlorophenyl)-5-fluorobenzoic acid

C13H8ClFO2 — CID 53211695

IUPAC2-(3-chlorophenyl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1cccc(Cl)c1
InChIInChI=1S/C13H8ClFO2/c14-9-3-1-2-8(6-9)11-5-4-10(15)7-12(11)13(16)17/h1-7H,(H,16,17)
InChIKeyMMMNHZIOKKBCFZ-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.84
Rot. Bonds2

About 2-(3-chlorophenyl)-5-fluorobenzoic acid

2-(3-chlorophenyl)-5-fluorobenzoic acid (PubChem CID 53211695) has the molecular formula C13H8ClFO2 and a molecular weight of 250.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-fluorobenzoic acid
PubChem CID53211695
Molecular FormulaC13H8ClFO2
Molecular Weight250.66 g/mol
Exact Mass250.02
IUPAC Name2-(3-chlorophenyl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1cccc(Cl)c1
InChIInChI=1S/C13H8ClFO2/c14-9-3-1-2-8(6-9)11-5-4-10(15)7-12(11)13(16)17/h1-7H,(H,16,17)
InChIKeyMMMNHZIOKKBCFZ-UHFFFAOYSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
5-chloro-2-(3,5-difluorophenyl)benzoic acid
CID 82107209
[2-(3-chlorophenyl)-4-fluorophenyl]boronic acid
CID 142746924
5-fluoro-2-(3-propylphenyl)benzoic acid
CID 116545164
2-chloro-5-(3-chlorophenyl)pyridine-4-carboxylic acid
CID 53223009
2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
CID 105395623
5-fluoro-2-phenylbenzoyl chloride
CID 46314879
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid
CID 63673346
4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid
CID 58064799

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-fluorobenzoic acid?
The IUPAC name of 2-(3-chlorophenyl)-5-fluorobenzoic acid (CID 53211695) is 2-(3-chlorophenyl)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-5-fluorobenzoic acid?
The canonical SMILES for 2-(3-chlorophenyl)-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-fluorobenzoic acid?
The InChIKey is MMMNHZIOKKBCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO2/c14-9-3-1-2-8(6-9)11-5-4-10(15)7-12(11)13(16)17/h1-7H,(H,16,17).
What are the key properties of 2-(3-chlorophenyl)-5-fluorobenzoic acid?
2-(3-chlorophenyl)-5-fluorobenzoic acid has a molecular weight of 250.66 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-fluorobenzoic acid is sourced from PubChem (CID 53211695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).