N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine

C8H10F3N — CID 143420707

IUPACN-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(\C=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-4-5-7(6(2)12-3)8(9,10)11/h4-5H,3H2,1-2H3/b5-4-,7-6+
InChIKeyOBKLOVGQUFLTOP-SCFJQAPRSA-N
MW177.17 g/mol
LogP3.10
Rot. Bonds2

About N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine

N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine (PubChem CID 143420707) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
PubChem CID143420707
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC NameN-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(\C=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-4-5-7(6(2)12-3)8(9,10)11/h4-5H,3H2,1-2H3/b5-4-,7-6+
InChIKeyOBKLOVGQUFLTOP-SCFJQAPRSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 53.10
H-Bond Donors ≤ 50
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

N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(3E,5E)-4,6-difluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 130218533
N-[(1E,3Z)-1-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130403842
N-[(2Z,4E,6E)-6-fluoro-3-methyl-4-prop-1-en-2-ylocta-2,4,6-trien-2-yl]methanimine
CID 134298486
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(3E,5E)-4-chloro-7,7,7-trifluoro-2,2,6-trimethylhepta-3,5-dien-3-yl]methanimine
CID 135291341
N-[(2E)-3-tert-butyl-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 135291361

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine (CID 143420707) is N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C(\C=C/C)C(F)(F)F.
What is the InChIKey of N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine?
The InChIKey is OBKLOVGQUFLTOP-SCFJQAPRSA-N. The full InChI is InChI=1S/C8H10F3N/c1-4-5-7(6(2)12-3)8(9,10)11/h4-5H,3H2,1-2H3/b5-4-,7-6+.
What are the key properties of N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine?
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine has a molecular weight of 177.17 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 143420707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).