N,1,1,1,3,3-hexafluoropropan-2-imine

C3HF6N — CID 542801

IUPACN,1,1,1,3,3-hexafluoropropan-2-imine
SMILESFN=C(C(F)F)C(F)(F)F
InChIInChI=1S/C3HF6N/c4-2(5)1(10-9)3(6,7)8/h2H
InChIKeyDRNYNCSMLBAEJS-UHFFFAOYSA-N
MW165.04 g/mol
LogP2.14
Rot. Bonds1

About N,1,1,1,3,3-hexafluoropropan-2-imine

N,1,1,1,3,3-hexafluoropropan-2-imine (PubChem CID 542801) has the molecular formula C3HF6N and a molecular weight of 165.04 g/mol. Its IUPAC name is N,1,1,1,3,3-hexafluoropropan-2-imine.

Molecular Properties

Compound NameN,1,1,1,3,3-hexafluoropropan-2-imine
PubChem CID542801
Molecular FormulaC3HF6N
Molecular Weight165.04 g/mol
Exact Mass165.00
IUPAC NameN,1,1,1,3,3-hexafluoropropan-2-imine
SMILESFN=C(C(F)F)C(F)(F)F
InChIInChI=1S/C3HF6N/c4-2(5)1(10-9)3(6,7)8/h2H
InChIKeyDRNYNCSMLBAEJS-UHFFFAOYSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.04
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,1,1,1,3,3-hexafluoropropan-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 N,1,1,1,3,3-hexafluoropropan-2-imine?
The IUPAC name of N,1,1,1,3,3-hexafluoropropan-2-imine (CID 542801) is N,1,1,1,3,3-hexafluoropropan-2-imine.
What is the SMILES notation for N,1,1,1,3,3-hexafluoropropan-2-imine?
The canonical SMILES for N,1,1,1,3,3-hexafluoropropan-2-imine is FN=C(C(F)F)C(F)(F)F.
What is the InChIKey of N,1,1,1,3,3-hexafluoropropan-2-imine?
The InChIKey is DRNYNCSMLBAEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6N/c4-2(5)1(10-9)3(6,7)8/h2H.
What are the key properties of N,1,1,1,3,3-hexafluoropropan-2-imine?
N,1,1,1,3,3-hexafluoropropan-2-imine has a molecular weight of 165.04 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,1,3,3-hexafluoropropan-2-imine is sourced from PubChem (CID 542801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).