3-fluorocyclobutane-1-carbohydrazide

C5H9FN2O — CID 139508943

IUPAC3-fluorocyclobutane-1-carbohydrazide
SMILESNNC(=O)C1CC(F)C1
InChIInChI=1S/C5H9FN2O/c6-4-1-3(2-4)5(9)8-7/h3-4H,1-2,7H2,(H,8,9)
InChIKeyCDLRFZUGYSIYKL-UHFFFAOYSA-N
MW132.14 g/mol
LogP-0.28
Rot. Bonds1

About 3-fluorocyclobutane-1-carbohydrazide

3-fluorocyclobutane-1-carbohydrazide (PubChem CID 139508943) has the molecular formula C5H9FN2O and a molecular weight of 132.14 g/mol. Its IUPAC name is 3-fluorocyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name3-fluorocyclobutane-1-carbohydrazide
PubChem CID139508943
Molecular FormulaC5H9FN2O
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name3-fluorocyclobutane-1-carbohydrazide
SMILESNNC(=O)C1CC(F)C1
InChIInChI=1S/C5H9FN2O/c6-4-1-3(2-4)5(9)8-7/h3-4H,1-2,7H2,(H,8,9)
InChIKeyCDLRFZUGYSIYKL-UHFFFAOYSA-N
XLogP-0.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-fluorocyclobutane-1-carbohydrazide?
The IUPAC name of 3-fluorocyclobutane-1-carbohydrazide (CID 139508943) is 3-fluorocyclobutane-1-carbohydrazide.
What is the SMILES notation for 3-fluorocyclobutane-1-carbohydrazide?
The canonical SMILES for 3-fluorocyclobutane-1-carbohydrazide is NNC(=O)C1CC(F)C1.
What is the InChIKey of 3-fluorocyclobutane-1-carbohydrazide?
The InChIKey is CDLRFZUGYSIYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O/c6-4-1-3(2-4)5(9)8-7/h3-4H,1-2,7H2,(H,8,9).
What are the key properties of 3-fluorocyclobutane-1-carbohydrazide?
3-fluorocyclobutane-1-carbohydrazide has a molecular weight of 132.14 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorocyclobutane-1-carbohydrazide is sourced from PubChem (CID 139508943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).