(4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine

C11H14F3N — CID 145152058

IUPAC(4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C(=C)/C(C)=C/C=C(\C)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-7(9(3)10(4)15)5-6-8(2)11(12,13)14/h5-6,15H,3H2,1-2,4H3/b7-5+,8-6+,15-10+
InChIKeyASWQJNASPFWMDU-GNPOWSKUSA-N
MW217.23 g/mol
LogP4.04
Rot. Bonds3

About (4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine

(4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine (PubChem CID 145152058) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine.

Molecular Properties

Compound Name(4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine
PubChem CID145152058
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C(=C)/C(C)=C/C=C(\C)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-7(9(3)10(4)15)5-6-8(2)11(12,13)14/h5-6,15H,3H2,1-2,4H3/b7-5+,8-6+,15-10+
InChIKeyASWQJNASPFWMDU-GNPOWSKUSA-N
XLogP4.04
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine with MolForge

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Related Compounds

6-(Difluoromethylidene)cyclohexa-2,4-dien-1-imine
CID 10419267
(E)-1,5-difluoro-3-methylpent-3-en-2-imine
CID 134932492
(E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine
CID 134996532
(4E)-4-chloro-6-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 88900847
(E)-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]but-3-en-2-imine
CID 89021973
3,4-Difluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89255212
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine
CID 91250232
3-[[2-(2-Fluoropropan-2-yl)-4,6,7-trimethylcyclohepta-1,3,6-trien-1-yl]methylidene]hexan-2-imine
CID 91334136
(3E)-3-fluoro-5-methylhexa-3,5-dien-2-imine
CID 91342165
(3Z)-5-fluoro-3-methylhexa-3,5-dien-2-imine
CID 91576140
(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine
CID 118102417

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine?
The IUPAC name of (4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine (CID 145152058) is (4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine.
What is the SMILES notation for (4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine?
The canonical SMILES for (4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine is [H]/N=C(\C)C(=C)/C(C)=C/C=C(\C)C(F)(F)F.
What is the InChIKey of (4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine?
The InChIKey is ASWQJNASPFWMDU-GNPOWSKUSA-N. The full InChI is InChI=1S/C11H14F3N/c1-7(9(3)10(4)15)5-6-8(2)11(12,13)14/h5-6,15H,3H2,1-2,4H3/b7-5+,8-6+,15-10+.
What are the key properties of (4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine?
(4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine has a molecular weight of 217.23 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-8,8,8-trifluoro-4,7-dimethyl-3-methylideneocta-4,6-dien-2-imine is sourced from PubChem (CID 145152058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).