(E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine

C7H8F3N — CID 143327927

IUPAC(E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine
SMILESC=C/N=C/C=C(\C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-11-5-4-6(2)7(8,9)10/h3-5H,1H2,2H3/b6-4+,11-5+
InChIKeyPLRDJCCLLFKVKD-KGUOMNFLSA-N
MW163.14 g/mol
LogP2.71
Rot. Bonds2

About (E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine

(E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine (PubChem CID 143327927) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is (E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine
PubChem CID143327927
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name(E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine
SMILESC=C/N=C/C=C(\C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-11-5-4-6(2)7(8,9)10/h3-5H,1H2,2H3/b6-4+,11-5+
InChIKeyPLRDJCCLLFKVKD-KGUOMNFLSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.71
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

(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine
CID 89214268
N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine
CID 118668915
(E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 142010094
(E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine
CID 143245775
(Z)-N-(1-fluoro-2-methylprop-1-enyl)prop-2-en-1-imine
CID 143420585
N-[(E)-3,3-difluorobut-1-enyl]prop-2-en-1-imine
CID 144130311
(E)-N-ethenyl-2-fluorobut-2-en-1-imine
CID 145541980
2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 155402733
(E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine
CID 167158578
N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]prop-2-en-1-imine
CID 167260521
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]but-2-en-1-imine
CID 169976993
N-[(1Z)-3-(trifluoromethyl)buta-1,3-dienyl]ethanimine
CID 142182118

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine?
The IUPAC name of (E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine (CID 143327927) is (E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine?
The canonical SMILES for (E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine is C=C/N=C/C=C(\C)C(F)(F)F.
What is the InChIKey of (E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine?
The InChIKey is PLRDJCCLLFKVKD-KGUOMNFLSA-N. The full InChI is InChI=1S/C7H8F3N/c1-3-11-5-4-6(2)7(8,9)10/h3-5H,1H2,2H3/b6-4+,11-5+.
What are the key properties of (E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine?
(E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine has a molecular weight of 163.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-4,4,4-trifluoro-3-methylbut-2-en-1-imine is sourced from PubChem (CID 143327927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).