2,4-dichloro-3-(trifluoromethyl)benzoic acid

C8H3Cl2F3O2 — CID 11680461

IUPAC2,4-dichloro-3-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C8H3Cl2F3O2/c9-4-2-1-3(7(14)15)6(10)5(4)8(11,12)13/h1-2H,(H,14,15)
InChIKeyYOIVZYSWXDVNPY-UHFFFAOYSA-N
MW259.01 g/mol
LogP3.71
Rot. Bonds1

About 2,4-dichloro-3-(trifluoromethyl)benzoic acid

2,4-dichloro-3-(trifluoromethyl)benzoic acid (PubChem CID 11680461) has the molecular formula C8H3Cl2F3O2 and a molecular weight of 259.01 g/mol. Its IUPAC name is 2,4-dichloro-3-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-3-(trifluoromethyl)benzoic acid
PubChem CID11680461
Molecular FormulaC8H3Cl2F3O2
Molecular Weight259.01 g/mol
Exact Mass257.95
IUPAC Name2,4-dichloro-3-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C8H3Cl2F3O2/c9-4-2-1-3(7(14)15)6(10)5(4)8(11,12)13/h1-2H,(H,14,15)
InChIKeyYOIVZYSWXDVNPY-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.01
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-3-fluoro-2-(trifluoromethyl)benzoic acid
CID 54115095
4-chloro-2-cyano-3-(trifluoromethyl)benzoic acid
CID 118845235
sodium;hydride;2,3,4-trichlorobenzoic acid
CID 174433618
3-amino-2-chloro-4-(trifluoromethyl)benzoic acid
CID 84701475
2,4-dichloro-3-methylsulfanylbenzoic acid
CID 151077438
methyl 4-chloro-2,3-bis(trifluoromethyl)benzoate
CID 134645652
N-[2,4-dichloro-3-(trifluoromethyl)phenyl]acetamide
CID 67828425
4-ethyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119023089
3-chloro-2-fluoro-4-(trifluoromethyl)benzoic acid
CID 86277703
3-chloro-2-(2-fluoropropan-2-yl)benzoic acid
CID 84682261
1-[3,6-dichloro-2-(trifluoromethyl)phenyl]ethanone
CID 131524733
2-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118853209

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(trifluoromethyl)benzoic acid?
The IUPAC name of 2,4-dichloro-3-(trifluoromethyl)benzoic acid (CID 11680461) is 2,4-dichloro-3-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2,4-dichloro-3-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2,4-dichloro-3-(trifluoromethyl)benzoic acid is O=C(O)c1ccc(Cl)c(C(F)(F)F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-(trifluoromethyl)benzoic acid?
The InChIKey is YOIVZYSWXDVNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F3O2/c9-4-2-1-3(7(14)15)6(10)5(4)8(11,12)13/h1-2H,(H,14,15).
What are the key properties of 2,4-dichloro-3-(trifluoromethyl)benzoic acid?
2,4-dichloro-3-(trifluoromethyl)benzoic acid has a molecular weight of 259.01 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 11680461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).