2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid

C10H9ClF3NO2 — CID 19958023

IUPAC2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid
SMILESCN(C(C(=O)O)c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO2/c1-15(10(12,13)14)8(9(16)17)6-2-4-7(11)5-3-6/h2-5,8H,1H3,(H,16,17)
InChIKeyKPVYAMVKWAGGMH-UHFFFAOYSA-N
MW267.63 g/mol
LogP2.92
Rot. Bonds3

About 2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid

2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid (PubChem CID 19958023) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid
PubChem CID19958023
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid
SMILESCN(C(C(=O)O)c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H9ClF3NO2/c1-15(10(12,13)14)8(9(16)17)6-2-4-7(11)5-3-6/h2-5,8H,1H3,(H,16,17)
InChIKeyKPVYAMVKWAGGMH-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Benzeneacetic acid, alpha-amino-4-chloro-
CID 587821
2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172
2-(Dimethylamino)-2-phenylacetic acid
CID 315599
(2S)-2-amino-2-(4-chlorophenyl)acetic acid
CID 738019
(r)-2-Amino-2-(4-chlorophenyl)acetic acid
CID 738020
2-(((Tert-butoxy)carbonyl)amino)-2-(4-chlorophenyl)acetic acid
CID 2756781
(1-(4-Chlorobenzyl)-2-oxohydrazino)(phenyl)acetic acid
CID 341212
(2R)-2-[(4-chlorophenyl)methyl-nitrosoamino]-2-phenylacetic acid
CID 3246683
2-(4-Chlorophenyl)-2-(morpholin-4-yl)acetic acid
CID 6484114
2-(4-Chlorophenyl)-2-(methylamino)acetic acid
CID 10856486
2-(Dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 22016552
2-{[(Tert-butoxy)carbonyl]amino}-2-(4-chloro-3-fluorophenyl)acetic acid
CID 22309186

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid (CID 19958023) is 2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid is CN(C(C(=O)O)c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid?
The InChIKey is KPVYAMVKWAGGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-15(10(12,13)14)8(9(16)17)6-2-4-7(11)5-3-6/h2-5,8H,1H3,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid?
2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid has a molecular weight of 267.63 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[methyl(trifluoromethyl)amino]acetic acid is sourced from PubChem (CID 19958023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).