N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine

C7H8F3N — CID 90941994

IUPACN-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine
SMILESC=CC=C(/N=C/C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-5-6(11-4-2)7(8,9)10/h3-5H,1H2,2H3/b6-5?,11-4+
InChIKeyJTHAXJIDBCJRLA-BGOFILMYSA-N
MW163.14 g/mol
LogP2.71
Rot. Bonds2

About N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine

N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine (PubChem CID 90941994) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine.

Molecular Properties

Compound NameN-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine
PubChem CID90941994
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC NameN-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine
SMILESC=CC=C(/N=C/C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-5-6(11-4-2)7(8,9)10/h3-5H,1H2,2H3/b6-5?,11-4+
InChIKeyJTHAXJIDBCJRLA-BGOFILMYSA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine?
The IUPAC name of N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine (CID 90941994) is N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine.
What is the SMILES notation for N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine?
The canonical SMILES for N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine is C=CC=C(/N=C/C)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine?
The InChIKey is JTHAXJIDBCJRLA-BGOFILMYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-3-5-6(11-4-2)7(8,9)10/h3-5H,1H2,2H3/b6-5?,11-4+.
What are the key properties of N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine?
N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine 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 N-(1,1,1-trifluoropenta-2,4-dien-2-yl)ethanimine is sourced from PubChem (CID 90941994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).