(3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine

C8H8F3N — CID 134532241

IUPAC(3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine
SMILESC=C/C=C\C(=N/C=C)C(F)(F)F
InChIInChI=1S/C8H8F3N/c1-3-5-6-7(12-4-2)8(9,10)11/h3-6H,1-2H2/b6-5-,12-7+
InChIKeyBEGLQOOIFBZKJA-UNKATYBDSA-N
MW175.15 g/mol
LogP2.88
Rot. Bonds3

About (3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine

(3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine (PubChem CID 134532241) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is (3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine
PubChem CID134532241
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name(3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine
SMILESC=C/C=C\C(=N/C=C)C(F)(F)F
InChIInChI=1S/C8H8F3N/c1-3-5-6-7(12-4-2)8(9,10)11/h3-6H,1-2H2/b6-5-,12-7+
InChIKeyBEGLQOOIFBZKJA-UNKATYBDSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine (CID 134532241) is (3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine is C=C/C=C\C(=N/C=C)C(F)(F)F.
What is the InChIKey of (3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine?
The InChIKey is BEGLQOOIFBZKJA-UNKATYBDSA-N. The full InChI is InChI=1S/C8H8F3N/c1-3-5-6-7(12-4-2)8(9,10)11/h3-6H,1-2H2/b6-5-,12-7+.
What are the key properties of (3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine?
(3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine has a molecular weight of 175.15 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine is sourced from PubChem (CID 134532241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).