N-ethenyl-1,1,1-trifluorobut-3-en-2-imine

C6H6F3N — CID 134549609

IUPACN-ethenyl-1,1,1-trifluorobut-3-en-2-imine
SMILESC=C/N=C(\C=C)C(F)(F)F
InChIInChI=1S/C6H6F3N/c1-3-5(10-4-2)6(7,8)9/h3-4H,1-2H2/b10-5+
InChIKeyLVSIJTBIHCZRQO-BJMVGYQFSA-N
MW149.11 g/mol
LogP2.32
Rot. Bonds2

About N-ethenyl-1,1,1-trifluorobut-3-en-2-imine

N-ethenyl-1,1,1-trifluorobut-3-en-2-imine (PubChem CID 134549609) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is N-ethenyl-1,1,1-trifluorobut-3-en-2-imine.

Molecular Properties

Compound NameN-ethenyl-1,1,1-trifluorobut-3-en-2-imine
PubChem CID134549609
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC NameN-ethenyl-1,1,1-trifluorobut-3-en-2-imine
SMILESC=C/N=C(\C=C)C(F)(F)F
InChIInChI=1S/C6H6F3N/c1-3-5(10-4-2)6(7,8)9/h3-4H,1-2H2/b10-5+
InChIKeyLVSIJTBIHCZRQO-BJMVGYQFSA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 52.32
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-ethenyl-1,1,1-trifluorobut-3-en-2-imine?
The IUPAC name of N-ethenyl-1,1,1-trifluorobut-3-en-2-imine (CID 134549609) is N-ethenyl-1,1,1-trifluorobut-3-en-2-imine.
What is the SMILES notation for N-ethenyl-1,1,1-trifluorobut-3-en-2-imine?
The canonical SMILES for N-ethenyl-1,1,1-trifluorobut-3-en-2-imine is C=C/N=C(\C=C)C(F)(F)F.
What is the InChIKey of N-ethenyl-1,1,1-trifluorobut-3-en-2-imine?
The InChIKey is LVSIJTBIHCZRQO-BJMVGYQFSA-N. The full InChI is InChI=1S/C6H6F3N/c1-3-5(10-4-2)6(7,8)9/h3-4H,1-2H2/b10-5+.
What are the key properties of N-ethenyl-1,1,1-trifluorobut-3-en-2-imine?
N-ethenyl-1,1,1-trifluorobut-3-en-2-imine has a molecular weight of 149.11 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1,1,1-trifluorobut-3-en-2-imine is sourced from PubChem (CID 134549609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).