(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine

C7H10F3N — CID 123634361

IUPAC(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine
SMILES[H]/N=C(/C=C(\C)C(F)(F)F)CC
InChIInChI=1S/C7H10F3N/c1-3-6(11)4-5(2)7(8,9)10/h4,11H,3H2,1-2H3/b5-4+,11-6+
InChIKeySUAZKFARQSPSJQ-LJIKRCSCSA-N
MW165.16 g/mol
LogP2.92
Rot. Bonds2

About (E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine

(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine (PubChem CID 123634361) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine.

Molecular Properties

Compound Name(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine
PubChem CID123634361
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine
SMILES[H]/N=C(/C=C(\C)C(F)(F)F)CC
InChIInChI=1S/C7H10F3N/c1-3-6(11)4-5(2)7(8,9)10/h4,11H,3H2,1-2H3/b5-4+,11-6+
InChIKeySUAZKFARQSPSJQ-LJIKRCSCSA-N
XLogP2.92
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine
CID 134996458
(E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine
CID 134996532
3,4-Difluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89255212
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
4-Fluorohex-4-en-3-imine
CID 91259833
(E)-5-fluorohex-4-en-3-imine
CID 91325186
(3E)-3-fluoro-5-methylhexa-3,5-dien-2-imine
CID 91342165
(E)-4-fluorohex-4-en-3-imine
CID 91480472
(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 (E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine?
The IUPAC name of (E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine (CID 123634361) is (E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine.
What is the SMILES notation for (E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine?
The canonical SMILES for (E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine is [H]/N=C(/C=C(\C)C(F)(F)F)CC.
What is the InChIKey of (E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine?
The InChIKey is SUAZKFARQSPSJQ-LJIKRCSCSA-N. The full InChI is InChI=1S/C7H10F3N/c1-3-6(11)4-5(2)7(8,9)10/h4,11H,3H2,1-2H3/b5-4+,11-6+.
What are the key properties of (E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine?
(E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine has a molecular weight of 165.16 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6,6-trifluoro-5-methylhex-4-en-3-imine is sourced from PubChem (CID 123634361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).