(Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane

C11H20F3N — CID 156717512

IUPAC(Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane
SMILESCCCC(F)(F)F.[H]/N=C(/C=C\C)C(C)C
InChIInChI=1S/C7H13N.C4H7F3/c1-4-5-7(8)6(2)3;1-2-3-4(5,6)7/h4-6,8H,1-3H3;2-3H2,1H3/b5-4-,8-7-;
InChIKeyYWUHUIZSTDSPRH-GAVCLPFXSA-N
MW223.28 g/mol
LogP4.59
Rot. Bonds3

About (Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane

(Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane (PubChem CID 156717512) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is (Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane.

Molecular Properties

Compound Name(Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane
PubChem CID156717512
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name(Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane
SMILESCCCC(F)(F)F.[H]/N=C(/C=C\C)C(C)C
InChIInChI=1S/C7H13N.C4H7F3/c1-4-5-7(8)6(2)3;1-2-3-4(5,6)7/h4-6,8H,1-3H3;2-3H2,1H3/b5-4-,8-7-;
InChIKeyYWUHUIZSTDSPRH-GAVCLPFXSA-N
XLogP4.59
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane 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

(E)-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]but-3-en-2-imine
CID 89021973
(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine
CID 91250232
6-Methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine
CID 123479377
(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123634361
2-Fluoro-5-methylcyclohepta-2,6-dien-1-imine
CID 123756912
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
(Z)-2,6-difluorohept-4-en-3-imine
CID 123953026
(Z)-1,1,1-trifluorohept-4-en-3-imine
CID 132023695
7-Fluoro-2,4-dimethylhept-5-en-3-imine
CID 132194355
ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine
CID 143344370
(Z)-2,2-difluoro-7-methylidenedec-5-en-4-imine
CID 143588764
(4Z)-11,11-difluoro-2,12-dimethyltrideca-4,12-dien-3-imine
CID 156235984

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane?
The IUPAC name of (Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane (CID 156717512) is (Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane.
What is the SMILES notation for (Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane?
The canonical SMILES for (Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane is CCCC(F)(F)F.[H]/N=C(/C=C\C)C(C)C.
What is the InChIKey of (Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane?
The InChIKey is YWUHUIZSTDSPRH-GAVCLPFXSA-N. The full InChI is InChI=1S/C7H13N.C4H7F3/c1-4-5-7(8)6(2)3;1-2-3-4(5,6)7/h4-6,8H,1-3H3;2-3H2,1H3/b5-4-,8-7-;.
What are the key properties of (Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane?
(Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane has a molecular weight of 223.28 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane is sourced from PubChem (CID 156717512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).