N'-(2,2-difluoroacetyl)butanehydrazide

C6H10F2N2O2 — CID 54411477

IUPACN'-(2,2-difluoroacetyl)butanehydrazide
SMILESCCCC(=O)NNC(=O)C(F)F
InChIInChI=1S/C6H10F2N2O2/c1-2-3-4(11)9-10-6(12)5(7)8/h5H,2-3H2,1H3,(H,9,11)(H,10,12)
InChIKeyLKSUZIGIYLHLKZ-UHFFFAOYSA-N
MW180.15 g/mol
LogP0.20
Rot. Bonds3

About N'-(2,2-difluoroacetyl)butanehydrazide

N'-(2,2-difluoroacetyl)butanehydrazide (PubChem CID 54411477) has the molecular formula C6H10F2N2O2 and a molecular weight of 180.15 g/mol. Its IUPAC name is N'-(2,2-difluoroacetyl)butanehydrazide.

Molecular Properties

Compound NameN'-(2,2-difluoroacetyl)butanehydrazide
PubChem CID54411477
Molecular FormulaC6H10F2N2O2
Molecular Weight180.15 g/mol
Exact Mass180.07
IUPAC NameN'-(2,2-difluoroacetyl)butanehydrazide
SMILESCCCC(=O)NNC(=O)C(F)F
InChIInChI=1S/C6H10F2N2O2/c1-2-3-4(11)9-10-6(12)5(7)8/h5H,2-3H2,1H3,(H,9,11)(H,10,12)
InChIKeyLKSUZIGIYLHLKZ-UHFFFAOYSA-N
XLogP0.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 50.20
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 N'-(2,2-difluoroacetyl)butanehydrazide?
The IUPAC name of N'-(2,2-difluoroacetyl)butanehydrazide (CID 54411477) is N'-(2,2-difluoroacetyl)butanehydrazide.
What is the SMILES notation for N'-(2,2-difluoroacetyl)butanehydrazide?
The canonical SMILES for N'-(2,2-difluoroacetyl)butanehydrazide is CCCC(=O)NNC(=O)C(F)F.
What is the InChIKey of N'-(2,2-difluoroacetyl)butanehydrazide?
The InChIKey is LKSUZIGIYLHLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O2/c1-2-3-4(11)9-10-6(12)5(7)8/h5H,2-3H2,1H3,(H,9,11)(H,10,12).
What are the key properties of N'-(2,2-difluoroacetyl)butanehydrazide?
N'-(2,2-difluoroacetyl)butanehydrazide has a molecular weight of 180.15 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroacetyl)butanehydrazide is sourced from PubChem (CID 54411477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).