2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid

C12H12F3NO2 — CID 62710809

IUPAC2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid
SMILESCC1CC1Nc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C12H12F3NO2/c1-6-4-10(6)16-9-3-2-7(12(13,14)15)5-8(9)11(17)18/h2-3,5-6,10,16H,4H2,1H3,(H,17,18)
InChIKeyGFTMOFLAXUZSLT-UHFFFAOYSA-N
MW259.23 g/mol
LogP3.22
Rot. Bonds3

About 2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid

2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid (PubChem CID 62710809) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid
PubChem CID62710809
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid
SMILESCC1CC1Nc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C12H12F3NO2/c1-6-4-10(6)16-9-3-2-7(12(13,14)15)5-8(9)11(17)18/h2-3,5-6,10,16H,4H2,1H3,(H,17,18)
InChIKeyGFTMOFLAXUZSLT-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63510359
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-5-(trifluoromethyl)benzoic acid
CID 114630005
2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid
CID 79870871
2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
CID 114806531
2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 22268814
2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid
CID 66270672
2-[(2-hydroxy-2-methylpropyl)amino]-5-(trifluoromethyl)benzoic acid
CID 114093515
2-(2-methylpropanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66270088
2-(3-methylbutanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269531
2-(butan-2-ylamino)-5-(trifluoromethyl)benzoic acid
CID 62711635
2-[2-methyl-5-(trifluoromethyl)anilino]cyclobutane-1-carboxylic acid
CID 103255428
4-bromo-2-[(2-methylcyclopropyl)amino]benzoic acid
CID 114907267

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid (CID 62710809) is 2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid is CC1CC1Nc1ccc(C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid?
The InChIKey is GFTMOFLAXUZSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-6-4-10(6)16-9-3-2-7(12(13,14)15)5-8(9)11(17)18/h2-3,5-6,10,16H,4H2,1H3,(H,17,18).
What are the key properties of 2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid?
2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid has a molecular weight of 259.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopropyl)amino]-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 62710809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).