N-ethenyl-6,6,6-trifluorohex-1-en-3-imine

C8H10F3N — CID 134549610

IUPACN-ethenyl-6,6,6-trifluorohex-1-en-3-imine
SMILESC=C/N=C(\C=C)CCC(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-7(12-4-2)5-6-8(9,10)11/h3-4H,1-2,5-6H2/b12-7+
InChIKeyKOGGKIZGJAFSLE-KPKJPENVSA-N
MW177.17 g/mol
LogP3.10
Rot. Bonds4

About N-ethenyl-6,6,6-trifluorohex-1-en-3-imine

N-ethenyl-6,6,6-trifluorohex-1-en-3-imine (PubChem CID 134549610) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is N-ethenyl-6,6,6-trifluorohex-1-en-3-imine.

Molecular Properties

Compound NameN-ethenyl-6,6,6-trifluorohex-1-en-3-imine
PubChem CID134549610
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC NameN-ethenyl-6,6,6-trifluorohex-1-en-3-imine
SMILESC=C/N=C(\C=C)CCC(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-7(12-4-2)5-6-8(9,10)11/h3-4H,1-2,5-6H2/b12-7+
InChIKeyKOGGKIZGJAFSLE-KPKJPENVSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-6,6,6-trifluorohex-1-en-3-imine?
The IUPAC name of N-ethenyl-6,6,6-trifluorohex-1-en-3-imine (CID 134549610) is N-ethenyl-6,6,6-trifluorohex-1-en-3-imine.
What is the SMILES notation for N-ethenyl-6,6,6-trifluorohex-1-en-3-imine?
The canonical SMILES for N-ethenyl-6,6,6-trifluorohex-1-en-3-imine is C=C/N=C(\C=C)CCC(F)(F)F.
What is the InChIKey of N-ethenyl-6,6,6-trifluorohex-1-en-3-imine?
The InChIKey is KOGGKIZGJAFSLE-KPKJPENVSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-7(12-4-2)5-6-8(9,10)11/h3-4H,1-2,5-6H2/b12-7+.
What are the key properties of N-ethenyl-6,6,6-trifluorohex-1-en-3-imine?
N-ethenyl-6,6,6-trifluorohex-1-en-3-imine has a molecular weight of 177.17 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-6,6,6-trifluorohex-1-en-3-imine is sourced from PubChem (CID 134549610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).