3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide

C6H11F4N3O — CID 165463834

IUPAC3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide
SMILESCN(CC(F)F)CC(F)(F)C(=O)NN
InChIInChI=1S/C6H11F4N3O/c1-13(2-4(7)8)3-6(9,10)5(14)12-11/h4H,2-3,11H2,1H3,(H,12,14)
InChIKeyPDHMCLPAGNIPMZ-UHFFFAOYSA-N
MW217.17 g/mol
LogP-0.19
Rot. Bonds5

About 3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide

3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide (PubChem CID 165463834) has the molecular formula C6H11F4N3O and a molecular weight of 217.17 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide
PubChem CID165463834
Molecular FormulaC6H11F4N3O
Molecular Weight217.17 g/mol
Exact Mass217.08
IUPAC Name3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide
SMILESCN(CC(F)F)CC(F)(F)C(=O)NN
InChIInChI=1S/C6H11F4N3O/c1-13(2-4(7)8)3-6(9,10)5(14)12-11/h4H,2-3,11H2,1H3,(H,12,14)
InChIKeyPDHMCLPAGNIPMZ-UHFFFAOYSA-N
XLogP-0.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide?
The IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide (CID 165463834) is 3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide.
What is the SMILES notation for 3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide?
The canonical SMILES for 3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide is CN(CC(F)F)CC(F)(F)C(=O)NN.
What is the InChIKey of 3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide?
The InChIKey is PDHMCLPAGNIPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F4N3O/c1-13(2-4(7)8)3-6(9,10)5(14)12-11/h4H,2-3,11H2,1H3,(H,12,14).
What are the key properties of 3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide?
3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide has a molecular weight of 217.17 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide is sourced from PubChem (CID 165463834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).