N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine

C5H6F3N — CID 89399491

IUPACN-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine
SMILESC=N/C(=C\C)C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-3-4(9-2)5(6,7)8/h3H,2H2,1H3/b4-3-
InChIKeyCJBATLBOWZRSNV-ARJAWSKDSA-N
MW137.10 g/mol
LogP2.15
Rot. Bonds1

About N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine

N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine (PubChem CID 89399491) has the molecular formula C5H6F3N and a molecular weight of 137.10 g/mol. Its IUPAC name is N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine
PubChem CID89399491
Molecular FormulaC5H6F3N
Molecular Weight137.10 g/mol
Exact Mass137.05
IUPAC NameN-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine
SMILESC=N/C(=C\C)C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-3-4(9-2)5(6,7)8/h3H,2H2,1H3/b4-3-
InChIKeyCJBATLBOWZRSNV-ARJAWSKDSA-N
XLogP2.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 52.15
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-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine (CID 89399491) is N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine is C=N/C(=C\C)C(F)(F)F.
What is the InChIKey of N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine?
The InChIKey is CJBATLBOWZRSNV-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H6F3N/c1-3-4(9-2)5(6,7)8/h3H,2H2,1H3/b4-3-.
What are the key properties of N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine?
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine has a molecular weight of 137.10 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine is sourced from PubChem (CID 89399491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).