(3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one

C10H14F3NO — CID 144916280

IUPAC(3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one
SMILESCC/C=C(/C=C(\NC)C(C)=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-4-5-8(10(11,12)13)6-9(14-3)7(2)15/h5-6,14H,4H2,1-3H3/b8-5-,9-6-
InChIKeyWUDVEFWTHBBBCY-VVRUXRSYSA-N
MW221.22 g/mol
LogP2.58
Rot. Bonds4

About (3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one

(3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one (PubChem CID 144916280) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is (3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one.

Molecular Properties

Compound Name(3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one
PubChem CID144916280
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name(3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one
SMILESCC/C=C(/C=C(\NC)C(C)=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-4-5-8(10(11,12)13)6-9(14-3)7(2)15/h5-6,14H,4H2,1-3H3/b8-5-,9-6-
InChIKeyWUDVEFWTHBBBCY-VVRUXRSYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-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

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one?
The IUPAC name of (3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one (CID 144916280) is (3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one.
What is the SMILES notation for (3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one?
The canonical SMILES for (3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one is CC/C=C(/C=C(\NC)C(C)=O)C(F)(F)F.
What is the InChIKey of (3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one?
The InChIKey is WUDVEFWTHBBBCY-VVRUXRSYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-4-5-8(10(11,12)13)6-9(14-3)7(2)15/h5-6,14H,4H2,1-3H3/b8-5-,9-6-.
What are the key properties of (3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one?
(3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one has a molecular weight of 221.22 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-(methylamino)-5-(trifluoromethyl)octa-3,5-dien-2-one is sourced from PubChem (CID 144916280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).