N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine

C8H10F3N — CID 143072411

IUPACN-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine
SMILESC/C=C/C=C(\N=C\C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-5-6-7(12-4-2)8(9,10)11/h3-6H,1-2H3/b5-3+,7-6-,12-4+
InChIKeyTVPPEPMBAFQIGN-YROHVBBBSA-N
MW177.17 g/mol
LogP3.10
Rot. Bonds2

About N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine

N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine (PubChem CID 143072411) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine
PubChem CID143072411
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC NameN-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine
SMILESC/C=C/C=C(\N=C\C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-5-6-7(12-4-2)8(9,10)11/h3-6H,1-2H3/b5-3+,7-6-,12-4+
InChIKeyTVPPEPMBAFQIGN-YROHVBBBSA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine?
The IUPAC name of N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine (CID 143072411) is N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine?
The canonical SMILES for N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine is C/C=C/C=C(\N=C\C)C(F)(F)F.
What is the InChIKey of N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine?
The InChIKey is TVPPEPMBAFQIGN-YROHVBBBSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-5-6-7(12-4-2)8(9,10)11/h3-6H,1-2H3/b5-3+,7-6-,12-4+.
What are the key properties of N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine?
N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine 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 N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 143072411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).