(E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one

C16H18F3NO — CID 167269740

IUPAC(E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one
SMILESC=C/C(C(C)=O)=C(\N(C(=C)C)C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C16H18F3NO/c1-5-14(12(4)21)15(16(17,18)19)20(11(2)3)13-9-7-6-8-10-13/h5,7,9-10H,1-2,6,8H2,3-4H3/b15-14+
InChIKeyMZWCSIOVOCWWJJ-CCEZHUSRSA-N
MW297.32 g/mol
LogP4.65
Rot. Bonds5

About (E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one

(E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one (PubChem CID 167269740) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is (E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one
PubChem CID167269740
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name(E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one
SMILESC=C/C(C(C)=O)=C(\N(C(=C)C)C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C16H18F3NO/c1-5-14(12(4)21)15(16(17,18)19)20(11(2)3)13-9-7-6-8-10-13/h5,7,9-10H,1-2,6,8H2,3-4H3/b15-14+
InChIKeyMZWCSIOVOCWWJJ-CCEZHUSRSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-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

1-(6-ethyl-1-propyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
CID 71560949
1-(1,6-dipropyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
CID 102429593
3-Methyl-4-(trifluoromethyl)quinolizin-2-one
CID 59283993
3,6-Dimethyl-4-(trifluoromethyl)quinolizin-2-one
CID 59284264
(2Z,4E,6E)-2-(dimethylamino)-4-ethylidene-9,9,9-trifluoronona-2,6-dien-5-one
CID 167118955
1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone
CID 171107529
3,5-bis[(1Z)-buta-1,3-dienyl]-2,6-bis(ethenyl)-1-methylpyridin-4-one
CID 170097280

Frequently Asked Questions

What is the IUPAC name of (E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one?
The IUPAC name of (E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one (CID 167269740) is (E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one.
What is the SMILES notation for (E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one?
The canonical SMILES for (E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one is C=C/C(C(C)=O)=C(\N(C(=C)C)C1=CCCC=C1)C(F)(F)F.
What is the InChIKey of (E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one?
The InChIKey is MZWCSIOVOCWWJJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-5-14(12(4)21)15(16(17,18)19)20(11(2)3)13-9-7-6-8-10-13/h5,7,9-10H,1-2,6,8H2,3-4H3/b15-14+.
What are the key properties of (E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one?
(E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one has a molecular weight of 297.32 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[cyclohexa-1,5-dien-1-yl(prop-1-en-2-yl)amino]-3-ethenyl-5,5,5-trifluoropent-3-en-2-one is sourced from PubChem (CID 167269740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).