N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine

C6H8F3N — CID 123935366

IUPACN-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
SMILESCC=C(/N=C/C)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-3-5(10-4-2)6(7,8)9/h3-4H,1-2H3/b5-3?,10-4+
InChIKeyAVSBKODSGLFPMF-DLFZNRPYSA-N
MW151.13 g/mol
LogP2.54
Rot. Bonds1

About N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine

N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine (PubChem CID 123935366) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine.

Molecular Properties

Compound NameN-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
PubChem CID123935366
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC NameN-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
SMILESCC=C(/N=C/C)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-3-5(10-4-2)6(7,8)9/h3-4H,1-2H3/b5-3?,10-4+
InChIKeyAVSBKODSGLFPMF-DLFZNRPYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine?
The IUPAC name of N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine (CID 123935366) is N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine.
What is the SMILES notation for N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine?
The canonical SMILES for N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine is CC=C(/N=C/C)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine?
The InChIKey is AVSBKODSGLFPMF-DLFZNRPYSA-N. The full InChI is InChI=1S/C6H8F3N/c1-3-5(10-4-2)6(7,8)9/h3-4H,1-2H3/b5-3?,10-4+.
What are the key properties of N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine?
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine has a molecular weight of 151.13 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine is sourced from PubChem (CID 123935366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).