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

C9H8F3NO2 — CID 62711108

IUPAC2-(methylamino)-5-(trifluoromethyl)benzoic acid
SMILESCNc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C9H8F3NO2/c1-13-7-3-2-5(9(10,11)12)4-6(7)8(14)15/h2-4,13H,1H3,(H,14,15)
InChIKeyDHGGWLNECBYZHW-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.45
Rot. Bonds2

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

2-(methylamino)-5-(trifluoromethyl)benzoic acid (PubChem CID 62711108) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 2-(methylamino)-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(methylamino)-5-(trifluoromethyl)benzoic acid
PubChem CID62711108
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name2-(methylamino)-5-(trifluoromethyl)benzoic acid
SMILESCNc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C9H8F3NO2/c1-13-7-3-2-5(9(10,11)12)4-6(7)8(14)15/h2-4,13H,1H3,(H,14,15)
InChIKeyDHGGWLNECBYZHW-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(methylamino)-5-(trifluoromethyl)benzoic acid (CID 62711108) is 2-(methylamino)-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(methylamino)-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(methylamino)-5-(trifluoromethyl)benzoic acid is CNc1ccc(C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-(methylamino)-5-(trifluoromethyl)benzoic acid?
The InChIKey is DHGGWLNECBYZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-13-7-3-2-5(9(10,11)12)4-6(7)8(14)15/h2-4,13H,1H3,(H,14,15).
What are the key properties of 2-(methylamino)-5-(trifluoromethyl)benzoic acid?
2-(methylamino)-5-(trifluoromethyl)benzoic acid has a molecular weight of 219.16 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 62711108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).