N,N,1,1,2,2-hexafluoroethanamine

C2HF6N — CID 102020105

IUPACN,N,1,1,2,2-hexafluoroethanamine
SMILESFC(F)C(F)(F)N(F)F
InChIInChI=1S/C2HF6N/c3-1(4)2(5,6)9(7)8/h1H
InChIKeyWMLPIVYNBOHQHB-UHFFFAOYSA-N
MW153.03 g/mol
LogP1.92
Rot. Bonds2

About N,N,1,1,2,2-hexafluoroethanamine

N,N,1,1,2,2-hexafluoroethanamine (PubChem CID 102020105) has the molecular formula C2HF6N and a molecular weight of 153.03 g/mol. Its IUPAC name is N,N,1,1,2,2-hexafluoroethanamine.

Molecular Properties

Compound NameN,N,1,1,2,2-hexafluoroethanamine
PubChem CID102020105
Molecular FormulaC2HF6N
Molecular Weight153.03 g/mol
Exact Mass153.00
IUPAC NameN,N,1,1,2,2-hexafluoroethanamine
SMILESFC(F)C(F)(F)N(F)F
InChIInChI=1S/C2HF6N/c3-1(4)2(5,6)9(7)8/h1H
InChIKeyWMLPIVYNBOHQHB-UHFFFAOYSA-N
XLogP1.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.03
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N,N,1,1,2,2-hexafluoroethanamine 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,N,1,1,2,2-hexafluoroethanamine?
The IUPAC name of N,N,1,1,2,2-hexafluoroethanamine (CID 102020105) is N,N,1,1,2,2-hexafluoroethanamine.
What is the SMILES notation for N,N,1,1,2,2-hexafluoroethanamine?
The canonical SMILES for N,N,1,1,2,2-hexafluoroethanamine is FC(F)C(F)(F)N(F)F.
What is the InChIKey of N,N,1,1,2,2-hexafluoroethanamine?
The InChIKey is WMLPIVYNBOHQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF6N/c3-1(4)2(5,6)9(7)8/h1H.
What are the key properties of N,N,1,1,2,2-hexafluoroethanamine?
N,N,1,1,2,2-hexafluoroethanamine has a molecular weight of 153.03 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,1,2,2-hexafluoroethanamine is sourced from PubChem (CID 102020105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).