2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid

C10H9BrF3NO2 — CID 54892942

IUPAC2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)C(NCC(F)(F)F)c1ccccc1Br
InChIInChI=1S/C10H9BrF3NO2/c11-7-4-2-1-3-6(7)8(9(16)17)15-5-10(12,13)14/h1-4,8,15H,5H2,(H,16,17)
InChIKeyDPEMWIPIZPZTKD-UHFFFAOYSA-N
MW312.09 g/mol
LogP2.73
Rot. Bonds4

About 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid

2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid (PubChem CID 54892942) has the molecular formula C10H9BrF3NO2 and a molecular weight of 312.09 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
PubChem CID54892942
Molecular FormulaC10H9BrF3NO2
Molecular Weight312.09 g/mol
Exact Mass310.98
IUPAC Name2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)C(NCC(F)(F)F)c1ccccc1Br
InChIInChI=1S/C10H9BrF3NO2/c11-7-4-2-1-3-6(7)8(9(16)17)15-5-10(12,13)14/h1-4,8,15H,5H2,(H,16,17)
InChIKeyDPEMWIPIZPZTKD-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892807
2-(2-bromophenyl)-2-(butylamino)acetic acid
CID 84747018
(2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid
CID 94479863
2-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 116684979
2-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 60997863
2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid
CID 84812531
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 60998841
N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914874
2-(2-bromophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid
CID 167828976
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518
2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 54892847
2-(benzylamino)-2-(2-bromophenyl)acetamide
CID 54889282

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The IUPAC name of 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid (CID 54892942) is 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid.
What is the SMILES notation for 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The canonical SMILES for 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid is O=C(O)C(NCC(F)(F)F)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The InChIKey is DPEMWIPIZPZTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO2/c11-7-4-2-1-3-6(7)8(9(16)17)15-5-10(12,13)14/h1-4,8,15H,5H2,(H,16,17).
What are the key properties of 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid?
2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid has a molecular weight of 312.09 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid is sourced from PubChem (CID 54892942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).