3,3-difluorocyclobutane-1-carbohydrazide

C5H8F2N2O — CID 86694093

IUPAC3,3-difluorocyclobutane-1-carbohydrazide
SMILESNNC(=O)C1CC(F)(F)C1
InChIInChI=1S/C5H8F2N2O/c6-5(7)1-3(2-5)4(10)9-8/h3H,1-2,8H2,(H,9,10)
InChIKeySCJLTXNQZYRZDG-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.02
Rot. Bonds1

About 3,3-difluorocyclobutane-1-carbohydrazide

3,3-difluorocyclobutane-1-carbohydrazide (PubChem CID 86694093) has the molecular formula C5H8F2N2O and a molecular weight of 150.13 g/mol. Its IUPAC name is 3,3-difluorocyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name3,3-difluorocyclobutane-1-carbohydrazide
PubChem CID86694093
Molecular FormulaC5H8F2N2O
Molecular Weight150.13 g/mol
Exact Mass150.06
IUPAC Name3,3-difluorocyclobutane-1-carbohydrazide
SMILESNNC(=O)C1CC(F)(F)C1
InChIInChI=1S/C5H8F2N2O/c6-5(7)1-3(2-5)4(10)9-8/h3H,1-2,8H2,(H,9,10)
InChIKeySCJLTXNQZYRZDG-UHFFFAOYSA-N
XLogP0.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.02
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 3,3-difluorocyclobutane-1-carbohydrazide?
The IUPAC name of 3,3-difluorocyclobutane-1-carbohydrazide (CID 86694093) is 3,3-difluorocyclobutane-1-carbohydrazide.
What is the SMILES notation for 3,3-difluorocyclobutane-1-carbohydrazide?
The canonical SMILES for 3,3-difluorocyclobutane-1-carbohydrazide is NNC(=O)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluorocyclobutane-1-carbohydrazide?
The InChIKey is SCJLTXNQZYRZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O/c6-5(7)1-3(2-5)4(10)9-8/h3H,1-2,8H2,(H,9,10).
What are the key properties of 3,3-difluorocyclobutane-1-carbohydrazide?
3,3-difluorocyclobutane-1-carbohydrazide has a molecular weight of 150.13 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorocyclobutane-1-carbohydrazide is sourced from PubChem (CID 86694093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).