ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine

C10H16F3N — CID 168934137

IUPACethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine
SMILESC/C=C\C=N\C(=C/C)C(F)(F)F.CC
InChIInChI=1S/C8H10F3N.C2H6/c1-3-5-6-12-7(4-2)8(9,10)11;1-2/h3-6H,1-2H3;1-2H3/b5-3-,7-4-,12-6+;
InChIKeyPCZRQLYQWCJWCK-IZZZXHERSA-N
MW207.24 g/mol
LogP4.13
Rot. Bonds2

About ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine

ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine (PubChem CID 168934137) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine
PubChem CID168934137
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Nameethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine
SMILESC/C=C\C=N\C(=C/C)C(F)(F)F.CC
InChIInChI=1S/C8H10F3N.C2H6/c1-3-5-6-12-7(4-2)8(9,10)11;1-2/h3-6H,1-2H3;1-2H3/b5-3-,7-4-,12-6+;
InChIKeyPCZRQLYQWCJWCK-IZZZXHERSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine with MolForge

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Related Compounds

N-tert-butyl-4,4,4-trifluorobut-2-en-1-imine
CID 57132997
N-[(2Z,4Z)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine
CID 89073543
(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine
CID 89214268
N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine
CID 90941994
N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine
CID 91012479
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]ethanimine
CID 117817156
(Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine
CID 118311796
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-1-imine
CID 123355000
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
N-[(E)-3-fluorobut-2-en-2-yl]prop-2-en-1-imine
CID 141985990
(Z)-N-[(E)-1-fluoroprop-1-en-2-yl]but-2-en-1-imine
CID 142010108
(E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine
CID 142285293

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine?
The IUPAC name of ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine (CID 168934137) is ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine?
The canonical SMILES for ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine is C/C=C\C=N\C(=C/C)C(F)(F)F.CC.
What is the InChIKey of ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine?
The InChIKey is PCZRQLYQWCJWCK-IZZZXHERSA-N. The full InChI is InChI=1S/C8H10F3N.C2H6/c1-3-5-6-12-7(4-2)8(9,10)11;1-2/h3-6H,1-2H3;1-2H3/b5-3-,7-4-,12-6+;.
What are the key properties of ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine?
ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine has a molecular weight of 207.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine is sourced from PubChem (CID 168934137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).