2,2-difluoro-N'-methylacetohydrazide

C3H6F2N2O — CID 23268500

IUPAC2,2-difluoro-N'-methylacetohydrazide
SMILESCNNC(=O)C(F)F
InChIInChI=1S/C3H6F2N2O/c1-6-7-3(8)2(4)5/h2,6H,1H3,(H,7,8)
InChIKeyRTDHFQUMGQANPV-UHFFFAOYSA-N
MW124.09 g/mol
LogP-0.50
Rot. Bonds2

About 2,2-difluoro-N'-methylacetohydrazide

2,2-difluoro-N'-methylacetohydrazide (PubChem CID 23268500) has the molecular formula C3H6F2N2O and a molecular weight of 124.09 g/mol. Its IUPAC name is 2,2-difluoro-N'-methylacetohydrazide.

Molecular Properties

Compound Name2,2-difluoro-N'-methylacetohydrazide
PubChem CID23268500
Molecular FormulaC3H6F2N2O
Molecular Weight124.09 g/mol
Exact Mass124.04
IUPAC Name2,2-difluoro-N'-methylacetohydrazide
SMILESCNNC(=O)C(F)F
InChIInChI=1S/C3H6F2N2O/c1-6-7-3(8)2(4)5/h2,6H,1H3,(H,7,8)
InChIKeyRTDHFQUMGQANPV-UHFFFAOYSA-N
XLogP-0.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N'-methylacetohydrazide?
The IUPAC name of 2,2-difluoro-N'-methylacetohydrazide (CID 23268500) is 2,2-difluoro-N'-methylacetohydrazide.
What is the SMILES notation for 2,2-difluoro-N'-methylacetohydrazide?
The canonical SMILES for 2,2-difluoro-N'-methylacetohydrazide is CNNC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N'-methylacetohydrazide?
The InChIKey is RTDHFQUMGQANPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2N2O/c1-6-7-3(8)2(4)5/h2,6H,1H3,(H,7,8).
What are the key properties of 2,2-difluoro-N'-methylacetohydrazide?
2,2-difluoro-N'-methylacetohydrazide has a molecular weight of 124.09 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-methylacetohydrazide is sourced from PubChem (CID 23268500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).