N'-(2-fluoroacetyl)butanehydrazide

C6H11FN2O2 — CID 54396036

IUPACN'-(2-fluoroacetyl)butanehydrazide
SMILESCCCC(=O)NNC(=O)CF
InChIInChI=1S/C6H11FN2O2/c1-2-3-5(10)8-9-6(11)4-7/h2-4H2,1H3,(H,8,10)(H,9,11)
InChIKeyJJNYFBIKNAWQEJ-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.10
Rot. Bonds3

About N'-(2-fluoroacetyl)butanehydrazide

N'-(2-fluoroacetyl)butanehydrazide (PubChem CID 54396036) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is N'-(2-fluoroacetyl)butanehydrazide.

Molecular Properties

Compound NameN'-(2-fluoroacetyl)butanehydrazide
PubChem CID54396036
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC NameN'-(2-fluoroacetyl)butanehydrazide
SMILESCCCC(=O)NNC(=O)CF
InChIInChI=1S/C6H11FN2O2/c1-2-3-5(10)8-9-6(11)4-7/h2-4H2,1H3,(H,8,10)(H,9,11)
InChIKeyJJNYFBIKNAWQEJ-UHFFFAOYSA-N
XLogP-0.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.10
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-fluoroacetyl)butanehydrazide?
The IUPAC name of N'-(2-fluoroacetyl)butanehydrazide (CID 54396036) is N'-(2-fluoroacetyl)butanehydrazide.
What is the SMILES notation for N'-(2-fluoroacetyl)butanehydrazide?
The canonical SMILES for N'-(2-fluoroacetyl)butanehydrazide is CCCC(=O)NNC(=O)CF.
What is the InChIKey of N'-(2-fluoroacetyl)butanehydrazide?
The InChIKey is JJNYFBIKNAWQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O2/c1-2-3-5(10)8-9-6(11)4-7/h2-4H2,1H3,(H,8,10)(H,9,11).
What are the key properties of N'-(2-fluoroacetyl)butanehydrazide?
N'-(2-fluoroacetyl)butanehydrazide has a molecular weight of 162.16 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoroacetyl)butanehydrazide is sourced from PubChem (CID 54396036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).