(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine

C8H10F3N — CID 118102417

IUPAC(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine
SMILES[H]/N=C(C(\C)=C/C=C\C)/C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-4-5-6(2)7(12)8(9,10)11/h3-5,12H,1-2H3/b4-3-,6-5-,12-7+
InChIKeyZNDFEILWWDQIKB-CEFCUCLSSA-N
MW177.17 g/mol
LogP3.09
Rot. Bonds2

About (3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine

(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine (PubChem CID 118102417) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine
PubChem CID118102417
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine
SMILES[H]/N=C(C(\C)=C/C=C\C)/C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-4-5-6(2)7(12)8(9,10)11/h3-5,12H,1-2H3/b4-3-,6-5-,12-7+
InChIKeyZNDFEILWWDQIKB-CEFCUCLSSA-N
XLogP3.09
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 53.09
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'}

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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)-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]but-3-en-2-imine
CID 89021973
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
(3E)-3-fluoro-5-methylhexa-3,5-dien-2-imine
CID 91342165
(3Z)-5-fluoro-3-methylhexa-3,5-dien-2-imine
CID 91576140
1,1,1-Trifluoro-4-methylpent-3-en-2-imine
CID 118281607
(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine
CID 122417254
1-Cyclohexa-1,4-dien-1-yl-2,2,2-trifluoroethanimine
CID 123220668
1-Cyclohexa-1,2,4-trien-1-yl-2,2,2-trifluoroethanimine
CID 123283269

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine (CID 118102417) is (3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine is [H]/N=C(C(\C)=C/C=C\C)/C(F)(F)F.
What is the InChIKey of (3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine?
The InChIKey is ZNDFEILWWDQIKB-CEFCUCLSSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-4-5-6(2)7(12)8(9,10)11/h3-5,12H,1-2H3/b4-3-,6-5-,12-7+.
What are the key properties of (3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine?
(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine has a molecular weight of 177.17 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine is sourced from PubChem (CID 118102417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).