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

C11H9ClF3NO3 — CID 10990101

IUPAC2-(4-chlorophenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCN(C(=O)C(F)(F)F)C(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClF3NO3/c1-16(10(19)11(13,14)15)8(9(17)18)6-2-4-7(12)5-3-6/h2-5,8H,1H3,(H,17,18)
InChIKeySYMJWXBEQYHCEA-UHFFFAOYSA-N
MW295.64 g/mol
LogP2.49
Rot. Bonds3

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

2-(4-chlorophenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 10990101) has the molecular formula C11H9ClF3NO3 and a molecular weight of 295.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID10990101
Molecular FormulaC11H9ClF3NO3
Molecular Weight295.64 g/mol
Exact Mass295.02
IUPAC Name2-(4-chlorophenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCN(C(=O)C(F)(F)F)C(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClF3NO3/c1-16(10(19)11(13,14)15)8(9(17)18)6-2-4-7(12)5-3-6/h2-5,8H,1H3,(H,17,18)
InChIKeySYMJWXBEQYHCEA-UHFFFAOYSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.64
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172
alpha-(Acetylmethylamino)-benzeneacetic acid
CID 3861124
2-(((Tert-butoxy)carbonyl)amino)-2-(4-chlorophenyl)acetic acid
CID 2756781
(+)-N-Trifluoroacetyl-L-phenylglycine
CID 1268083
(1-(4-Chlorobenzyl)-2-oxohydrazino)(phenyl)acetic acid
CID 341212
N-Acetyl-4-chlorophenylalanine
CID 602662
(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
3-(4-Chlorophenyl)-3-acetamidopropanoic acid
CID 17525403
2-{[(Tert-butoxy)carbonyl]amino}-2-(4-chloro-3-fluorophenyl)acetic acid
CID 22309186
2-(2-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 24258980

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]acetic acid (CID 10990101) is 2-(4-chlorophenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]acetic acid is CN(C(=O)C(F)(F)F)C(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is SYMJWXBEQYHCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO3/c1-16(10(19)11(13,14)15)8(9(17)18)6-2-4-7(12)5-3-6/h2-5,8H,1H3,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
2-(4-chlorophenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 295.64 g/mol, XLogP of 2.49, 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-(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 10990101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).