1,1,1-trifluoro-N-methylpropan-2-imine

C4H6F3N — CID 89398469

IUPAC1,1,1-trifluoro-N-methylpropan-2-imine
SMILESC/N=C(\C)C(F)(F)F
InChIInChI=1S/C4H6F3N/c1-3(8-2)4(5,6)7/h1-2H3/b8-3+
InChIKeyLEBNHJAHLSRWPJ-FPYGCLRLSA-N
MW125.09 g/mol
LogP1.64
Rot. Bonds

About 1,1,1-trifluoro-N-methylpropan-2-imine

1,1,1-trifluoro-N-methylpropan-2-imine (PubChem CID 89398469) has the molecular formula C4H6F3N and a molecular weight of 125.09 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methylpropan-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methylpropan-2-imine
PubChem CID89398469
Molecular FormulaC4H6F3N
Molecular Weight125.09 g/mol
Exact Mass125.05
IUPAC Name1,1,1-trifluoro-N-methylpropan-2-imine
SMILESC/N=C(\C)C(F)(F)F
InChIInChI=1S/C4H6F3N/c1-3(8-2)4(5,6)7/h1-2H3/b8-3+
InChIKeyLEBNHJAHLSRWPJ-FPYGCLRLSA-N
XLogP1.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 51.64
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 1,1,1-trifluoro-N-methylpropan-2-imine?
The IUPAC name of 1,1,1-trifluoro-N-methylpropan-2-imine (CID 89398469) is 1,1,1-trifluoro-N-methylpropan-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-N-methylpropan-2-imine?
The canonical SMILES for 1,1,1-trifluoro-N-methylpropan-2-imine is C/N=C(\C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methylpropan-2-imine?
The InChIKey is LEBNHJAHLSRWPJ-FPYGCLRLSA-N. The full InChI is InChI=1S/C4H6F3N/c1-3(8-2)4(5,6)7/h1-2H3/b8-3+.
What are the key properties of 1,1,1-trifluoro-N-methylpropan-2-imine?
1,1,1-trifluoro-N-methylpropan-2-imine has a molecular weight of 125.09 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methylpropan-2-imine is sourced from PubChem (CID 89398469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).