N-(2,2-difluoroethyl)nitramide

C2H4F2N2O2 — CID 71361638

IUPACN-(2,2-difluoroethyl)nitramide
SMILESO=[N+]([O-])NCC(F)F
InChIInChI=1S/C2H4F2N2O2/c3-2(4)1-5-6(7)8/h2,5H,1H2
InChIKeyKUBJTDVSPIBFNL-UHFFFAOYSA-N
MW126.06 g/mol
LogP0.03
Rot. Bonds3

About N-(2,2-difluoroethyl)nitramide

N-(2,2-difluoroethyl)nitramide (PubChem CID 71361638) has the molecular formula C2H4F2N2O2 and a molecular weight of 126.06 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)nitramide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)nitramide
PubChem CID71361638
Molecular FormulaC2H4F2N2O2
Molecular Weight126.06 g/mol
Exact Mass126.02
IUPAC NameN-(2,2-difluoroethyl)nitramide
SMILESO=[N+]([O-])NCC(F)F
InChIInChI=1S/C2H4F2N2O2/c3-2(4)1-5-6(7)8/h2,5H,1H2
InChIKeyKUBJTDVSPIBFNL-UHFFFAOYSA-N
XLogP0.03
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.06
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,2-difluoroethyl)nitramide 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-(2,2-difluoroethyl)nitramide?
The IUPAC name of N-(2,2-difluoroethyl)nitramide (CID 71361638) is N-(2,2-difluoroethyl)nitramide.
What is the SMILES notation for N-(2,2-difluoroethyl)nitramide?
The canonical SMILES for N-(2,2-difluoroethyl)nitramide is O=[N+]([O-])NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)nitramide?
The InChIKey is KUBJTDVSPIBFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2N2O2/c3-2(4)1-5-6(7)8/h2,5H,1H2.
What are the key properties of N-(2,2-difluoroethyl)nitramide?
N-(2,2-difluoroethyl)nitramide has a molecular weight of 126.06 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)nitramide is sourced from PubChem (CID 71361638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).