4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid

C14H7ClF4O2 — CID 107333287

IUPAC4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(F)cc(Cl)c2)cc1C(F)(F)F
InChIInChI=1S/C14H7ClF4O2/c15-9-3-8(4-10(16)6-9)7-1-2-11(13(20)21)12(5-7)14(17,18)19/h1-6H,(H,20,21)
InChIKeyCTAJVAIGLWVLBA-UHFFFAOYSA-N
MW318.65 g/mol
LogP4.86
Rot. Bonds2

About 4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid

4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid (PubChem CID 107333287) has the molecular formula C14H7ClF4O2 and a molecular weight of 318.65 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid
PubChem CID107333287
Molecular FormulaC14H7ClF4O2
Molecular Weight318.65 g/mol
Exact Mass318.01
IUPAC Name4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(F)cc(Cl)c2)cc1C(F)(F)F
InChIInChI=1S/C14H7ClF4O2/c15-9-3-8(4-10(16)6-9)7-1-2-11(13(20)21)12(5-7)14(17,18)19/h1-6H,(H,20,21)
InChIKeyCTAJVAIGLWVLBA-UHFFFAOYSA-N
XLogP4.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.65
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333213
4-chloro-2-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228331
4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333223
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
4-(3,5-difluorophenyl)-2-fluorobenzoic acid
CID 53211091
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
2-(3-chloro-5-fluorophenyl)-4-nitrobenzoic acid
CID 53226908
2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224344
2-amino-5-[4-chloro-3-(trifluoromethyl)phenyl]benzoic acid
CID 23005098
4-(3-chloro-5-fluorophenyl)-3-fluorobenzoic acid
CID 53226890
1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647106

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid (CID 107333287) is 4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid is O=C(O)c1ccc(-c2cc(F)cc(Cl)c2)cc1C(F)(F)F.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid?
The InChIKey is CTAJVAIGLWVLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4O2/c15-9-3-8(4-10(16)6-9)7-1-2-11(13(20)21)12(5-7)14(17,18)19/h1-6H,(H,20,21).
What are the key properties of 4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid?
4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid has a molecular weight of 318.65 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 107333287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).