N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene

C9H14F3N — CID 143532055

IUPACN-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene
SMILESC/C=C\CC(F)(F)F.C=C/N=C/C
InChIInChI=1S/C5H7F3.C4H7N/c1-2-3-4-5(6,7)8;1-3-5-4-2/h2-3H,4H2,1H3;3-4H,1H2,2H3/b3-2-;5-4+
InChIKeyAWBJXURLZWSGGL-XUFSOBNHSA-N
MW193.21 g/mol
LogP3.74
Rot. Bonds2

About N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene

N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene (PubChem CID 143532055) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene.

Molecular Properties

Compound NameN-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene
PubChem CID143532055
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC NameN-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene
SMILESC/C=C\CC(F)(F)F.C=C/N=C/C
InChIInChI=1S/C5H7F3.C4H7N/c1-2-3-4-5(6,7)8;1-3-5-4-2/h2-3H,4H2,1H3;3-4H,1H2,2H3/b3-2-;5-4+
InChIKeyAWBJXURLZWSGGL-XUFSOBNHSA-N
XLogP3.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine
CID 118668915
4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride
CID 134172148
N-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]ethanimine
CID 142839013
N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine
CID 143003949
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine
CID 143139877
(E)-N-ethenyl-3-fluorohex-3-en-1-imine
CID 143495541
N-[(E)-3,3-difluorobut-1-enyl]prop-2-en-1-imine
CID 144130311
ethane;(Z)-1,1,1-trifluoro-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 145149525
4,4-Difluoroazepine;hydrochloride
CID 153575639
4,4-Difluoroazepine
CID 153575640
(Z)-N-ethenyl-1,1,1-trifluoropent-3-en-2-imine
CID 155236673

Frequently Asked Questions

What is the IUPAC name of N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene?
The IUPAC name of N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene (CID 143532055) is N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene.
What is the SMILES notation for N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene?
The canonical SMILES for N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene is C/C=C\CC(F)(F)F.C=C/N=C/C.
What is the InChIKey of N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene?
The InChIKey is AWBJXURLZWSGGL-XUFSOBNHSA-N. The full InChI is InChI=1S/C5H7F3.C4H7N/c1-2-3-4-5(6,7)8;1-3-5-4-2/h2-3H,4H2,1H3;3-4H,1H2,2H3/b3-2-;5-4+.
What are the key properties of N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene?
N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene has a molecular weight of 193.21 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene is sourced from PubChem (CID 143532055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).