(Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one

C17H11F6NO — CID 177472811

IUPAC(Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESN/C(=C\C(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11F6NO/c18-16(19,20)12-5-1-3-10(7-12)14(24)9-15(25)11-4-2-6-13(8-11)17(21,22)23/h1-9H,24H2/b14-9-
InChIKeyHQESENSYIZMVDC-ZROIWOOFSA-N
MW359.27 g/mol
LogP4.91
Rot. Bonds3

About (Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one

(Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one (PubChem CID 177472811) has the molecular formula C17H11F6NO and a molecular weight of 359.27 g/mol. Its IUPAC name is (Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one
PubChem CID177472811
Molecular FormulaC17H11F6NO
Molecular Weight359.27 g/mol
Exact Mass359.07
IUPAC Name(Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESN/C(=C\C(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11F6NO/c18-16(19,20)12-5-1-3-10(7-12)14(24)9-15(25)11-4-2-6-13(8-11)17(21,22)23/h1-9H,24H2/b14-9-
InChIKeyHQESENSYIZMVDC-ZROIWOOFSA-N
XLogP4.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one 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

(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 54704246
(Z)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]but-2-en-1-one
CID 67946359
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 116996899
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806
S-(trifluoromethyl) 3-(trifluoromethyl)benzenecarbothioate
CID 132535624
3-(trifluoromethyl)benzaldehyde;3-(trifluoromethyl)benzamide;chloride
CID 157401586
(E)-3-(2-hydroxyphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 141495067
(E)-1-(4-bromo-3-methylphenyl)-4,4,4-trifluoro-3-[3-(trifluoromethyl)phenyl]but-2-en-1-one
CID 87515366
N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
3-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 3322189

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
The IUPAC name of (Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one (CID 177472811) is (Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for (Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
The canonical SMILES for (Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one is N/C(=C\C(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
The InChIKey is HQESENSYIZMVDC-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H11F6NO/c18-16(19,20)12-5-1-3-10(7-12)14(24)9-15(25)11-4-2-6-13(8-11)17(21,22)23/h1-9H,24H2/b14-9-.
What are the key properties of (Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
(Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one has a molecular weight of 359.27 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 177472811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).