4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid

C14H7Cl2F3O2 — CID 107333223

IUPAC4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)ccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H7Cl2F3O2/c15-8-2-4-12(16)10(6-8)7-1-3-9(13(20)21)11(5-7)14(17,18)19/h1-6H,(H,20,21)
InChIKeyUKGOWEOVKOQRIG-UHFFFAOYSA-N
MW335.11 g/mol
LogP5.38
Rot. Bonds2

About 4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid

4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid (PubChem CID 107333223) has the molecular formula C14H7Cl2F3O2 and a molecular weight of 335.11 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid
PubChem CID107333223
Molecular FormulaC14H7Cl2F3O2
Molecular Weight335.11 g/mol
Exact Mass333.98
IUPAC Name4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)ccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H7Cl2F3O2/c15-8-2-4-12(16)10(6-8)7-1-3-9(13(20)21)11(5-7)14(17,18)19/h1-6H,(H,20,21)
InChIKeyUKGOWEOVKOQRIG-UHFFFAOYSA-N
XLogP5.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.11
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2,5-dichlorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647095
4-chloro-2-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228331
4-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211133
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647106
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333287
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118847412
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
2-amino-5-[4-chloro-3-(trifluoromethyl)phenyl]benzoic acid
CID 23005098

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid (CID 107333223) is 4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid is O=C(O)c1ccc(-c2cc(Cl)ccc2Cl)cc1C(F)(F)F.
What is the InChIKey of 4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid?
The InChIKey is UKGOWEOVKOQRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3O2/c15-8-2-4-12(16)10(6-8)7-1-3-9(13(20)21)11(5-7)14(17,18)19/h1-6H,(H,20,21).
What are the key properties of 4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid?
4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid has a molecular weight of 335.11 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 107333223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).