2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid

C11H9F6NO2 — CID 60998841

IUPAC2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(NCC(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F6NO2/c12-10(13,14)5-18-8(9(19)20)6-1-3-7(4-2-6)11(15,16)17/h1-4,8,18H,5H2,(H,19,20)
InChIKeyXLBZIZJQCHYPII-UHFFFAOYSA-N
MW301.19 g/mol
LogP2.98
Rot. Bonds4

About 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid

2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 60998841) has the molecular formula C11H9F6NO2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
PubChem CID60998841
Molecular FormulaC11H9F6NO2
Molecular Weight301.19 g/mol
Exact Mass301.05
IUPAC Name2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(NCC(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F6NO2/c12-10(13,14)5-18-8(9(19)20)6-1-3-7(4-2-6)11(15,16)17/h1-4,8,18H,5H2,(H,19,20)
InChIKeyXLBZIZJQCHYPII-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]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

(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 93280035
2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 43753723
2-(3-fluoro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 63647938
(2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid
CID 125455508
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 25417845
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 54893055
2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 54892942
2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 60998462
2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 55062413
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 61345798
2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-phenylacetic acid
CID 81411047

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid (CID 60998841) is 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid is O=C(O)C(NCC(F)(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is XLBZIZJQCHYPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO2/c12-10(13,14)5-18-8(9(19)20)6-1-3-7(4-2-6)11(15,16)17/h1-4,8,18H,5H2,(H,19,20).
What are the key properties of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid?
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 301.19 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 60998841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).