ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine

C9H14F3N — CID 143349967

IUPACethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine
SMILESC/N=C(C)/C=C\CC(F)(F)F.C=C
InChIInChI=1S/C7H10F3N.C2H4/c1-6(11-2)4-3-5-7(8,9)10;1-2/h3-4H,5H2,1-2H3;1-2H2/b4-3-,11-6+;
InChIKeyQPJOOMBBDGMPSY-ORFLMORJSA-N
MW193.21 g/mol
LogP3.39
Rot. Bonds2

About ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine

ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine (PubChem CID 143349967) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine.

Molecular Properties

Compound Nameethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine
PubChem CID143349967
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Nameethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine
SMILESC/N=C(C)/C=C\CC(F)(F)F.C=C
InChIInChI=1S/C7H10F3N.C2H4/c1-6(11-2)4-3-5-7(8,9)10;1-2/h3-4H,5H2,1-2H3;1-2H2/b4-3-,11-6+;
InChIKeyQPJOOMBBDGMPSY-ORFLMORJSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethene;(Z)-6,6,6-trifluoro-N-methylhex-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

Related Compounds

5-(trifluoromethyl)-2H-pyrrole
CID 58924994
3-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 67489736
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine
CID 91208998
(E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 91330788
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800

Frequently Asked Questions

What is the IUPAC name of ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine?
The IUPAC name of ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine (CID 143349967) is ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine.
What is the SMILES notation for ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine?
The canonical SMILES for ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine is C/N=C(C)/C=C\CC(F)(F)F.C=C.
What is the InChIKey of ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine?
The InChIKey is QPJOOMBBDGMPSY-ORFLMORJSA-N. The full InChI is InChI=1S/C7H10F3N.C2H4/c1-6(11-2)4-3-5-7(8,9)10;1-2/h3-4H,5H2,1-2H3;1-2H2/b4-3-,11-6+;.
What are the key properties of ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine?
ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine has a molecular weight of 193.21 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine is sourced from PubChem (CID 143349967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).