2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide

C6H12F2N2O3 — CID 103229391

IUPAC2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide
SMILESCOCC(OCC(F)F)C(=O)NN
InChIInChI=1S/C6H12F2N2O3/c1-12-2-4(6(11)10-9)13-3-5(7)8/h4-5H,2-3,9H2,1H3,(H,10,11)
InChIKeyJLAZULJETQELSR-UHFFFAOYSA-N
MW198.17 g/mol
LogP-0.73
Rot. Bonds6

About 2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide

2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide (PubChem CID 103229391) has the molecular formula C6H12F2N2O3 and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide
PubChem CID103229391
Molecular FormulaC6H12F2N2O3
Molecular Weight198.17 g/mol
Exact Mass198.08
IUPAC Name2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide
SMILESCOCC(OCC(F)F)C(=O)NN
InChIInChI=1S/C6H12F2N2O3/c1-12-2-4(6(11)10-9)13-3-5(7)8/h4-5H,2-3,9H2,1H3,(H,10,11)
InChIKeyJLAZULJETQELSR-UHFFFAOYSA-N
XLogP-0.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

3-methoxy-2-prop-2-enoxypropanehydrazide
CID 103229178
2-hexoxy-3-methoxypropanehydrazide
CID 103229247
2-(2-methoxyethoxy)butanehydrazide
CID 63575929
2-(2,2-difluoroethoxy)butanamide
CID 82006448
2-(3-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229222
3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
CID 103229408
2-(1-methoxypropan-2-yloxy)pentanehydrazide
CID 83047017
2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide
CID 107171064
2-(2,5-difluorophenoxy)-3-methoxypropanehydrazide
CID 103229333
3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 103229534
2-(2-bromophenoxy)-3-methoxypropanehydrazide
CID 103229243
2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide
CID 107718981

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide?
The IUPAC name of 2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide (CID 103229391) is 2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide is COCC(OCC(F)F)C(=O)NN.
What is the InChIKey of 2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide?
The InChIKey is JLAZULJETQELSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O3/c1-12-2-4(6(11)10-9)13-3-5(7)8/h4-5H,2-3,9H2,1H3,(H,10,11).
What are the key properties of 2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide?
2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide has a molecular weight of 198.17 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide is sourced from PubChem (CID 103229391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).