4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine

C10H13F6N — CID 167255590

IUPAC4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
SMILESCCC(CC)=C(/C(=N/C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6N/c1-4-6(5-2)7(9(11,12)13)8(17-3)10(14,15)16/h4-5H2,1-3H3/b17-8-
InChIKeyBACFLFXSKACEOD-IUXPMGMMSA-N
MW261.21 g/mol
LogP4.30
Rot. Bonds3

About 4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine

4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine (PubChem CID 167255590) has the molecular formula C10H13F6N and a molecular weight of 261.21 g/mol. Its IUPAC name is 4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine.

Molecular Properties

Compound Name4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
PubChem CID167255590
Molecular FormulaC10H13F6N
Molecular Weight261.21 g/mol
Exact Mass261.10
IUPAC Name4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
SMILESCCC(CC)=C(/C(=N/C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6N/c1-4-6(5-2)7(9(11,12)13)8(17-3)10(14,15)16/h4-5H2,1-3H3/b17-8-
InChIKeyBACFLFXSKACEOD-IUXPMGMMSA-N
XLogP4.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine 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 4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine?
The IUPAC name of 4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine (CID 167255590) is 4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine.
What is the SMILES notation for 4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine?
The canonical SMILES for 4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine is CCC(CC)=C(/C(=N/C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine?
The InChIKey is BACFLFXSKACEOD-IUXPMGMMSA-N. The full InChI is InChI=1S/C10H13F6N/c1-4-6(5-2)7(9(11,12)13)8(17-3)10(14,15)16/h4-5H2,1-3H3/b17-8-.
What are the key properties of 4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine?
4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine has a molecular weight of 261.21 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1,1-trifluoro-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine is sourced from PubChem (CID 167255590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).