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

C13H8ClFO2 — CID 22046615

IUPAC4-(4-chlorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C13H8ClFO2/c14-10-4-1-8(2-5-10)9-3-6-11(13(16)17)12(15)7-9/h1-7H,(H,16,17)
InChIKeyUGRHWVWTCWQIEO-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.84
Rot. Bonds2

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

4-(4-chlorophenyl)-2-fluorobenzoic acid (PubChem CID 22046615) has the molecular formula C13H8ClFO2 and a molecular weight of 250.66 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-fluorobenzoic acid
PubChem CID22046615
Molecular FormulaC13H8ClFO2
Molecular Weight250.66 g/mol
Exact Mass250.02
IUPAC Name4-(4-chlorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C13H8ClFO2/c14-10-4-1-8(2-5-10)9-3-6-11(13(16)17)12(15)7-9/h1-7H,(H,16,17)
InChIKeyUGRHWVWTCWQIEO-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-fluorobenzoic acid (CID 22046615) is 4-(4-chlorophenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-fluorobenzoic acid is O=C(O)c1ccc(-c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-(4-chlorophenyl)-2-fluorobenzoic acid?
The InChIKey is UGRHWVWTCWQIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO2/c14-10-4-1-8(2-5-10)9-3-6-11(13(16)17)12(15)7-9/h1-7H,(H,16,17).
What are the key properties of 4-(4-chlorophenyl)-2-fluorobenzoic acid?
4-(4-chlorophenyl)-2-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 4-(4-chlorophenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 22046615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).