(Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one

C10H14F3NO — CID 123477052

IUPAC(Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one
SMILESCC/C(C(C)=O)=C(C(\C)=N\C)/C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-5-8(7(3)15)9(6(2)14-4)10(11,12)13/h5H2,1-4H3/b9-8-,14-6+
InChIKeyPZAHYSXMUOLKSB-TUIHDFOVSA-N
MW221.22 g/mol
LogP2.93
Rot. Bonds3

About (Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one

(Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one (PubChem CID 123477052) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is (Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one
PubChem CID123477052
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name(Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one
SMILESCC/C(C(C)=O)=C(C(\C)=N\C)/C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-5-8(7(3)15)9(6(2)14-4)10(11,12)13/h5H2,1-4H3/b9-8-,14-6+
InChIKeyPZAHYSXMUOLKSB-TUIHDFOVSA-N
XLogP2.93
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-7,7,7-trifluoro-4-methyl-6-methyliminohept-4-en-3-one
CID 155280906
(4R,5S)-2-(C,N-dimethylcarbonimidoyl)-4,5-difluoro-3-methylcyclopent-2-en-1-one
CID 169843292
(E)-8,8,8-trifluoro-5-methyl-7-methyliminooct-5-en-4-one
CID 155718417
(E)-6,6,6-trifluoro-3-methyl-5-methyliminohex-3-en-2-one
CID 171794467
1-(3,5-dimethyl-2H-pyrrol-4-yl)ethanone
CID 97298650
3-(N-ethyl-C-methylcarbonimidoyl)-4-methylpent-3-en-2-one
CID 123346614
4-chloro-3-(C,N-dimethylcarbonimidoyl)pent-3-en-2-one
CID 123410463
(E)-3-(C,N-dimethylcarbonimidoyl)pent-3-en-2-one
CID 142620524
3-(C,N-dimethylcarbonimidoyl)-4-methylpent-3-en-2-one;ethane;ethene
CID 143127775
3-(C,N-dimethylcarbonimidoyl)-4-methylpent-3-en-2-one;ethane
CID 143127939
(E)-3,4-dimethyl-5-methyliminohex-3-en-2-one
CID 143364858
3-(C,N-dimethylcarbonimidoyl)-4-methylpent-3-en-2-one
CID 143127776

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one?
The IUPAC name of (Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one (CID 123477052) is (Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one.
What is the SMILES notation for (Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one?
The canonical SMILES for (Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one is CC/C(C(C)=O)=C(C(\C)=N\C)/C(F)(F)F.
What is the InChIKey of (Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one?
The InChIKey is PZAHYSXMUOLKSB-TUIHDFOVSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-5-8(7(3)15)9(6(2)14-4)10(11,12)13/h5H2,1-4H3/b9-8-,14-6+.
What are the key properties of (Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one?
(Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one has a molecular weight of 221.22 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-5-methylimino-4-(trifluoromethyl)hex-3-en-2-one is sourced from PubChem (CID 123477052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).