4,4-difluoropiperidine-3-carbohydrazide

C6H11F2N3O — CID 130735827

IUPAC4,4-difluoropiperidine-3-carbohydrazide
SMILESNNC(=O)C1CNCCC1(F)F
InChIInChI=1S/C6H11F2N3O/c7-6(8)1-2-10-3-4(6)5(12)11-9/h4,10H,1-3,9H2,(H,11,12)
InChIKeyTXNUDUWXJVFBRK-UHFFFAOYSA-N
MW179.17 g/mol
LogP-0.78
Rot. Bonds1

About 4,4-difluoropiperidine-3-carbohydrazide

4,4-difluoropiperidine-3-carbohydrazide (PubChem CID 130735827) has the molecular formula C6H11F2N3O and a molecular weight of 179.17 g/mol. Its IUPAC name is 4,4-difluoropiperidine-3-carbohydrazide.

Molecular Properties

Compound Name4,4-difluoropiperidine-3-carbohydrazide
PubChem CID130735827
Molecular FormulaC6H11F2N3O
Molecular Weight179.17 g/mol
Exact Mass179.09
IUPAC Name4,4-difluoropiperidine-3-carbohydrazide
SMILESNNC(=O)C1CNCCC1(F)F
InChIInChI=1S/C6H11F2N3O/c7-6(8)1-2-10-3-4(6)5(12)11-9/h4,10H,1-3,9H2,(H,11,12)
InChIKeyTXNUDUWXJVFBRK-UHFFFAOYSA-N
XLogP-0.78
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4,4-difluoropiperidine-3-carbohydrazide?
The IUPAC name of 4,4-difluoropiperidine-3-carbohydrazide (CID 130735827) is 4,4-difluoropiperidine-3-carbohydrazide.
What is the SMILES notation for 4,4-difluoropiperidine-3-carbohydrazide?
The canonical SMILES for 4,4-difluoropiperidine-3-carbohydrazide is NNC(=O)C1CNCCC1(F)F.
What is the InChIKey of 4,4-difluoropiperidine-3-carbohydrazide?
The InChIKey is TXNUDUWXJVFBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N3O/c7-6(8)1-2-10-3-4(6)5(12)11-9/h4,10H,1-3,9H2,(H,11,12).
What are the key properties of 4,4-difluoropiperidine-3-carbohydrazide?
4,4-difluoropiperidine-3-carbohydrazide has a molecular weight of 179.17 g/mol, XLogP of -0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine-3-carbohydrazide is sourced from PubChem (CID 130735827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).