4-(2,6-dichlorophenyl)-3-fluorobenzoic acid

C13H7Cl2FO2 — CID 119008734

IUPAC4-(2,6-dichlorophenyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2c(Cl)cccc2Cl)c(F)c1
InChIInChI=1S/C13H7Cl2FO2/c14-9-2-1-3-10(15)12(9)8-5-4-7(13(17)18)6-11(8)16/h1-6H,(H,17,18)
InChIKeyIUQJEEPCXVELPG-UHFFFAOYSA-N
MW285.10 g/mol
LogP4.50
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-3-fluorobenzoic acid

4-(2,6-dichlorophenyl)-3-fluorobenzoic acid (PubChem CID 119008734) has the molecular formula C13H7Cl2FO2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-3-fluorobenzoic acid
PubChem CID119008734
Molecular FormulaC13H7Cl2FO2
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name4-(2,6-dichlorophenyl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2c(Cl)cccc2Cl)c(F)c1
InChIInChI=1S/C13H7Cl2FO2/c14-9-2-1-3-10(15)12(9)8-5-4-7(13(17)18)6-11(8)16/h1-6H,(H,17,18)
InChIKeyIUQJEEPCXVELPG-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

3-fluoro-4-(2,3,4,5,6-pentachlorophenyl)benzoic acid
CID 134620174
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306
4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid
CID 69201249
4-chloro-3-fluorobenzoic acid
CID 2736536
4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid
CID 114731769
4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid
CID 53226619
4-(3-chloro-5-fluorophenyl)-3-fluorobenzoic acid
CID 53226890
3-fluoro-4-(4-fluoro-2,6-dimethylphenyl)benzoic acid
CID 106879243
4-(2,6-difluoro-3-methylphenyl)-3-fluorobenzoic acid
CID 82822983
3-fluoro-4-(2,4,5-trifluorophenyl)benzoic acid
CID 115503073
4-[3-(2,6-dichlorobenzoyl)-2-methylindolizin-1-yl]-3-fluorobenzoic acid
CID 121472785
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-3-fluorobenzoic acid?
The IUPAC name of 4-(2,6-dichlorophenyl)-3-fluorobenzoic acid (CID 119008734) is 4-(2,6-dichlorophenyl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(2,6-dichlorophenyl)-3-fluorobenzoic acid is O=C(O)c1ccc(-c2c(Cl)cccc2Cl)c(F)c1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-3-fluorobenzoic acid?
The InChIKey is IUQJEEPCXVELPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO2/c14-9-2-1-3-10(15)12(9)8-5-4-7(13(17)18)6-11(8)16/h1-6H,(H,17,18).
What are the key properties of 4-(2,6-dichlorophenyl)-3-fluorobenzoic acid?
4-(2,6-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-(2,6-dichlorophenyl)-3-fluorobenzoic acid is sourced from PubChem (CID 119008734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).