(Z)-N-(trifluoromethyl)hex-4-en-3-imine

C7H10F3N — CID 123213688

IUPAC(Z)-N-(trifluoromethyl)hex-4-en-3-imine
SMILESCCC(=NC(F)(F)F)/C=C\C
InChIInChI=1S/C7H10F3N/c1-3-5-6(4-2)11-7(8,9)10/h3,5H,4H2,1-2H3/b5-3-,11-6?
InChIKeyUDBRGPRGIQDAEW-KQMLRIGESA-N
MW165.16 g/mol
LogP2.50
Rot. Bonds2

About (Z)-N-(trifluoromethyl)hex-4-en-3-imine

(Z)-N-(trifluoromethyl)hex-4-en-3-imine (PubChem CID 123213688) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (Z)-N-(trifluoromethyl)hex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-N-(trifluoromethyl)hex-4-en-3-imine
PubChem CID123213688
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(Z)-N-(trifluoromethyl)hex-4-en-3-imine
SMILESCCC(=NC(F)(F)F)/C=C\C
InChIInChI=1S/C7H10F3N/c1-3-5-6(4-2)11-7(8,9)10/h3,5H,4H2,1-2H3/b5-3-,11-6?
InChIKeyUDBRGPRGIQDAEW-KQMLRIGESA-N
XLogP2.50
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity167

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
4-fluoro-N-methylcyclohex-2-en-1-imine
CID 123864135
(Z)-2,6-difluorohept-4-en-3-imine
CID 123953026
(Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)pent-3-en-2-imine
CID 131996217
(Z)-1,1,1-trifluorohept-4-en-3-imine
CID 132023695
(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine
CID 134219972
(Z)-N-ethynyl-1,1,1-trifluorohex-3-en-2-imine
CID 134566736

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(trifluoromethyl)hex-4-en-3-imine?
The IUPAC name of (Z)-N-(trifluoromethyl)hex-4-en-3-imine (CID 123213688) is (Z)-N-(trifluoromethyl)hex-4-en-3-imine.
What is the SMILES notation for (Z)-N-(trifluoromethyl)hex-4-en-3-imine?
The canonical SMILES for (Z)-N-(trifluoromethyl)hex-4-en-3-imine is CCC(=NC(F)(F)F)/C=C\C.
What is the InChIKey of (Z)-N-(trifluoromethyl)hex-4-en-3-imine?
The InChIKey is UDBRGPRGIQDAEW-KQMLRIGESA-N. The full InChI is InChI=1S/C7H10F3N/c1-3-5-6(4-2)11-7(8,9)10/h3,5H,4H2,1-2H3/b5-3-,11-6?.
What are the key properties of (Z)-N-(trifluoromethyl)hex-4-en-3-imine?
(Z)-N-(trifluoromethyl)hex-4-en-3-imine has a molecular weight of 165.16 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(trifluoromethyl)hex-4-en-3-imine is sourced from PubChem (CID 123213688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).