4-(2,4-dichlorophenyl)-3-fluorobenzoic acid

C13H7Cl2FO2 — CID 53211306

IUPAC4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C13H7Cl2FO2/c14-8-2-4-9(11(15)6-8)10-3-1-7(13(17)18)5-12(10)16/h1-6H,(H,17,18)
InChIKeyBAPKYSVYIIQFEI-UHFFFAOYSA-N
MW285.10 g/mol
LogP4.50
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-3-fluorobenzoic acid

4-(2,4-dichlorophenyl)-3-fluorobenzoic acid (PubChem CID 53211306) has the molecular formula C13H7Cl2FO2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
PubChem CID53211306
Molecular FormulaC13H7Cl2FO2
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C13H7Cl2FO2/c14-8-2-4-9(11(15)6-8)10-3-1-7(13(17)18)5-12(10)16/h1-6H,(H,17,18)
InChIKeyBAPKYSVYIIQFEI-UHFFFAOYSA-N
XLogP4.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid
CID 53226619
3-fluoro-4-(2,3,4,5,6-pentachlorophenyl)benzoic acid
CID 134620174
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
3-fluoro-4-(2,4,5-trifluorophenyl)benzoic acid
CID 115503073
4-(2,6-dichlorophenyl)-3-fluorobenzoic acid
CID 119008734
4-(5-bromo-2-fluorophenyl)-3-chlorobenzoic acid
CID 81308229
4-chloro-3-fluorobenzoic acid
CID 2736536
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
3-chloro-4-(2-chloro-4-fluoro-5-methylphenyl)benzoic acid
CID 81308236
4-(3-chloro-5-fluorophenyl)-3-fluorobenzoic acid
CID 53226890
4-(4-chloro-2-fluorophenyl)-3-nitrobenzoic acid
CID 115512561
2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134633775

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-fluorobenzoic acid?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-fluorobenzoic acid (CID 53211306) is 4-(2,4-dichlorophenyl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-fluorobenzoic acid is O=C(O)c1ccc(-c2ccc(Cl)cc2Cl)c(F)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-fluorobenzoic acid?
The InChIKey is BAPKYSVYIIQFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO2/c14-8-2-4-9(11(15)6-8)10-3-1-7(13(17)18)5-12(10)16/h1-6H,(H,17,18).
What are the key properties of 4-(2,4-dichlorophenyl)-3-fluorobenzoic acid?
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid has a molecular weight of 285.10 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-3-fluorobenzoic acid is sourced from PubChem (CID 53211306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).