2-(4-chlorophenyl)-5-fluorobenzoic acid

C13H8ClFO2 — CID 39232323

IUPAC2-(4-chlorophenyl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClFO2/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17/h1-7H,(H,16,17)
InChIKeyMSYSJYOGWZZOTO-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.84
Rot. Bonds2

About 2-(4-chlorophenyl)-5-fluorobenzoic acid

2-(4-chlorophenyl)-5-fluorobenzoic acid (PubChem CID 39232323) has the molecular formula C13H8ClFO2 and a molecular weight of 250.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-fluorobenzoic acid
PubChem CID39232323
Molecular FormulaC13H8ClFO2
Molecular Weight250.66 g/mol
Exact Mass250.02
IUPAC Name2-(4-chlorophenyl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClFO2/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17/h1-7H,(H,16,17)
InChIKeyMSYSJYOGWZZOTO-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-(3-chlorophenyl)-5-fluorobenzoic acid
CID 53211695
5-chloro-2-(3,5-difluorophenyl)benzoic acid
CID 82107209
2-(4-tert-butylphenyl)-5-fluorobenzoic acid
CID 16768740
2-[4-(dimethylamino)phenyl]-5-fluorobenzoic acid
CID 39232563
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
CID 105395623
bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone
CID 70484247
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
2-(4-chlorophenyl)-5-(trifluoromethylsulfonyl)benzoic acid
CID 68802793
5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423881
5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid
CID 53211223

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-fluorobenzoic acid?
The IUPAC name of 2-(4-chlorophenyl)-5-fluorobenzoic acid (CID 39232323) is 2-(4-chlorophenyl)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-5-fluorobenzoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-fluorobenzoic acid?
The InChIKey is MSYSJYOGWZZOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO2/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17/h1-7H,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-5-fluorobenzoic acid?
2-(4-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-(4-chlorophenyl)-5-fluorobenzoic acid is sourced from PubChem (CID 39232323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).