2-chloro-5-(trifluoromethyl)benzoic acid

C8H4ClF3O2 — CID 688182

IUPAC2-chloro-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H4ClF3O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
InChIKeyWLXRKCGYQAKHSJ-UHFFFAOYSA-N
MW224.56 g/mol
LogP3.06
Rot. Bonds1

About 2-chloro-5-(trifluoromethyl)benzoic acid

2-chloro-5-(trifluoromethyl)benzoic acid (PubChem CID 688182) has the molecular formula C8H4ClF3O2 and a molecular weight of 224.56 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)benzoic acid
PubChem CID688182
Molecular FormulaC8H4ClF3O2
Molecular Weight224.56 g/mol
Exact Mass223.99
IUPAC Name2-chloro-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H4ClF3O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
InChIKeyWLXRKCGYQAKHSJ-UHFFFAOYSA-N
XLogP3.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-chloro-5-(trifluoromethyl)benzoic acid (CID 688182) is 2-chloro-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)benzoic acid?
The InChIKey is WLXRKCGYQAKHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14).
What are the key properties of 2-chloro-5-(trifluoromethyl)benzoic acid?
2-chloro-5-(trifluoromethyl)benzoic acid has a molecular weight of 224.56 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 688182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).