1,1,1,4,4,4-hexafluorobutan-2-imine

C4H3F6N — CID 23234712

IUPAC1,1,1,4,4,4-hexafluorobutan-2-imine
SMILES[H]/N=C(\CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F6N/c5-3(6,7)1-2(11)4(8,9)10/h11H,1H2/b11-2+
InChIKeyGIWFHIMGFPIOLT-BIIKFXOESA-N
MW179.06 g/mol
LogP2.52
Rot. Bonds1

About 1,1,1,4,4,4-hexafluorobutan-2-imine

1,1,1,4,4,4-hexafluorobutan-2-imine (PubChem CID 23234712) has the molecular formula C4H3F6N and a molecular weight of 179.06 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluorobutan-2-imine.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluorobutan-2-imine
PubChem CID23234712
Molecular FormulaC4H3F6N
Molecular Weight179.06 g/mol
Exact Mass179.02
IUPAC Name1,1,1,4,4,4-hexafluorobutan-2-imine
SMILES[H]/N=C(\CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F6N/c5-3(6,7)1-2(11)4(8,9)10/h11H,1H2/b11-2+
InChIKeyGIWFHIMGFPIOLT-BIIKFXOESA-N
XLogP2.52
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,4,4,4-hexafluorobutan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,4-hexafluorobutan-2-imine?
The IUPAC name of 1,1,1,4,4,4-hexafluorobutan-2-imine (CID 23234712) is 1,1,1,4,4,4-hexafluorobutan-2-imine.
What is the SMILES notation for 1,1,1,4,4,4-hexafluorobutan-2-imine?
The canonical SMILES for 1,1,1,4,4,4-hexafluorobutan-2-imine is [H]/N=C(\CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluorobutan-2-imine?
The InChIKey is GIWFHIMGFPIOLT-BIIKFXOESA-N. The full InChI is InChI=1S/C4H3F6N/c5-3(6,7)1-2(11)4(8,9)10/h11H,1H2/b11-2+.
What are the key properties of 1,1,1,4,4,4-hexafluorobutan-2-imine?
1,1,1,4,4,4-hexafluorobutan-2-imine has a molecular weight of 179.06 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,4-hexafluorobutan-2-imine is sourced from PubChem (CID 23234712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).