4-methyl-2-(trifluoromethyl)benzoic acid

C9H7F3O2 — CID 2775591

IUPAC4-methyl-2-(trifluoromethyl)benzoic acid
SMILESCc1ccc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C9H7F3O2/c1-5-2-3-6(8(13)14)7(4-5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeyPHJOGJTZXVBKJO-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.71
Rot. Bonds1

About 4-methyl-2-(trifluoromethyl)benzoic acid

4-methyl-2-(trifluoromethyl)benzoic acid (PubChem CID 2775591) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)benzoic acid
PubChem CID2775591
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name4-methyl-2-(trifluoromethyl)benzoic acid
SMILESCc1ccc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C9H7F3O2/c1-5-2-3-6(8(13)14)7(4-5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeyPHJOGJTZXVBKJO-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-methyl-2-(trifluoromethyl)benzoic acid (CID 2775591) is 4-methyl-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)benzoic acid is Cc1ccc(C(=O)O)c(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)benzoic acid?
The InChIKey is PHJOGJTZXVBKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c1-5-2-3-6(8(13)14)7(4-5)9(10,11)12/h2-4H,1H3,(H,13,14).
What are the key properties of 4-methyl-2-(trifluoromethyl)benzoic acid?
4-methyl-2-(trifluoromethyl)benzoic acid has a molecular weight of 204.15 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 2775591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).