5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid

C10H10F3NO2 — CID 122668430

IUPAC5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid
SMILESCNc1cc(C(F)(F)F)c(C(=O)O)cc1C
InChIInChI=1S/C10H10F3NO2/c1-5-3-6(9(15)16)7(10(11,12)13)4-8(5)14-2/h3-4,14H,1-2H3,(H,15,16)
InChIKeyGARNCOAUTCXZKV-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.75
Rot. Bonds2

About 5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid

5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid (PubChem CID 122668430) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid
PubChem CID122668430
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid
SMILESCNc1cc(C(F)(F)F)c(C(=O)O)cc1C
InChIInChI=1S/C10H10F3NO2/c1-5-3-6(9(15)16)7(10(11,12)13)4-8(5)14-2/h3-4,14H,1-2H3,(H,15,16)
InChIKeyGARNCOAUTCXZKV-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-4-(methylamino)benzoic acid
CID 153189772
1-[4,5-dimethyl-2-(trifluoromethyl)phenyl]ethanone
CID 131384993
5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
CID 131330568
4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333213
4-ethoxy-5-fluoro-2-(trifluoromethyl)benzoic acid
CID 171002908
2,5-dimethyl-3-(trifluoromethyl)benzoic acid;ethane
CID 177201270
5-methyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119020616
2-methyl-3,5-bis(trifluoromethyl)benzoic acid
CID 53430558
4-(2,4-dimethylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333245
[4-carboxy-3-(trifluoromethyl)phenyl]-trimethylazanium
CID 87200170
1-[4-chloro-5-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 171003757
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid (CID 122668430) is 5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid is CNc1cc(C(F)(F)F)c(C(=O)O)cc1C.
What is the InChIKey of 5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid?
The InChIKey is GARNCOAUTCXZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-5-3-6(9(15)16)7(10(11,12)13)4-8(5)14-2/h3-4,14H,1-2H3,(H,15,16).
What are the key properties of 5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid?
5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid has a molecular weight of 233.19 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(methylamino)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 122668430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).