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

C8H10F3N — CID 168934138

IUPAC(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
InChIInChI=1S/C8H10F3N/c1-3-5-6-12-7(4-2)8(9,10)11/h3-6H,1-2H3/b5-3-,7-4-,12-6+
InChIKeyWHPHMHDFMFTISV-WVYHLXLTSA-N
MW177.17 g/mol
LogP3.10
Rot. Bonds2

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

(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine (PubChem CID 168934138) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine
PubChem CID168934138
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(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
InChIInChI=1S/C8H10F3N/c1-3-5-6-12-7(4-2)8(9,10)11/h3-6H,1-2H3/b5-3-,7-4-,12-6+
InChIKeyWHPHMHDFMFTISV-WVYHLXLTSA-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'}

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Related Compounds

N-[(2Z,4E)-hexa-2,4-dien-2-yl]prop-2-en-1-imine
CID 163657818
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
(Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine
CID 134382222
N-[(E)-3-fluorobut-2-en-2-yl]prop-2-en-1-imine
CID 141985990

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine (CID 168934138) is (Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine?
The canonical SMILES for (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.
What is the InChIKey of (Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine?
The InChIKey is WHPHMHDFMFTISV-WVYHLXLTSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-5-6-12-7(4-2)8(9,10)11/h3-6H,1-2H3/b5-3-,7-4-,12-6+.
What are the key properties of (Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine?
(Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine 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 (Z)-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine is sourced from PubChem (CID 168934138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).