1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone

C10H10F3NO — CID 84682465

IUPAC1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(NCC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO/c1-7(15)8-3-2-4-9(5-8)14-6-10(11,12)13/h2-5,14H,6H2,1H3
InChIKeyYIWCECQTCBYMOX-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.86
Rot. Bonds3

About 1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone

1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone (PubChem CID 84682465) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone
PubChem CID84682465
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(NCC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO/c1-7(15)8-3-2-4-9(5-8)14-6-10(11,12)13/h2-5,14H,6H2,1H3
InChIKeyYIWCECQTCBYMOX-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone 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

1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone
CID 114808702
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943
1-[3-(2-fluoropropylamino)phenyl]ethanone
CID 84666212
1-[3-(2-methylprop-2-enylamino)phenyl]ethanone
CID 82096283
N-(3-acetylphenyl)-3,4,4-trimethylpentanamide
CID 55260812
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
CID 81484636
N-(3-acetylphenyl)-2-(tert-butylamino)acetamide
CID 31628083
2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37176536
1-[3-[(4-amino-3-methylbutyl)amino]phenyl]ethanone
CID 112509851
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone?
The IUPAC name of 1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone (CID 84682465) is 1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone is CC(=O)c1cccc(NCC(F)(F)F)c1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone?
The InChIKey is YIWCECQTCBYMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-7(15)8-3-2-4-9(5-8)14-6-10(11,12)13/h2-5,14H,6H2,1H3.
What are the key properties of 1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone?
1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone has a molecular weight of 217.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone is sourced from PubChem (CID 84682465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).