4,4-difluoropiperidine-3-carbohydrazide;hydrochloride

C6H12ClF2N3O — CID 130735826

IUPAC4,4-difluoropiperidine-3-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)C1CNCCC1(F)F
InChIInChI=1S/C6H11F2N3O.ClH/c7-6(8)1-2-10-3-4(6)5(12)11-9;/h4,10H,1-3,9H2,(H,11,12);1H
InChIKeyTYVWNYDYDKQXLA-UHFFFAOYSA-N
MW215.63 g/mol
LogP-0.36
Rot. Bonds1

About 4,4-difluoropiperidine-3-carbohydrazide;hydrochloride

4,4-difluoropiperidine-3-carbohydrazide;hydrochloride (PubChem CID 130735826) has the molecular formula C6H12ClF2N3O and a molecular weight of 215.63 g/mol. Its IUPAC name is 4,4-difluoropiperidine-3-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name4,4-difluoropiperidine-3-carbohydrazide;hydrochloride
PubChem CID130735826
Molecular FormulaC6H12ClF2N3O
Molecular Weight215.63 g/mol
Exact Mass215.06
IUPAC Name4,4-difluoropiperidine-3-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)C1CNCCC1(F)F
InChIInChI=1S/C6H11F2N3O.ClH/c7-6(8)1-2-10-3-4(6)5(12)11-9;/h4,10H,1-3,9H2,(H,11,12);1H
InChIKeyTYVWNYDYDKQXLA-UHFFFAOYSA-N
XLogP-0.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.63
LogP ≤ 5-0.36
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;hydrochloride?
The IUPAC name of 4,4-difluoropiperidine-3-carbohydrazide;hydrochloride (CID 130735826) is 4,4-difluoropiperidine-3-carbohydrazide;hydrochloride.
What is the SMILES notation for 4,4-difluoropiperidine-3-carbohydrazide;hydrochloride?
The canonical SMILES for 4,4-difluoropiperidine-3-carbohydrazide;hydrochloride is Cl.NNC(=O)C1CNCCC1(F)F.
What is the InChIKey of 4,4-difluoropiperidine-3-carbohydrazide;hydrochloride?
The InChIKey is TYVWNYDYDKQXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N3O.ClH/c7-6(8)1-2-10-3-4(6)5(12)11-9;/h4,10H,1-3,9H2,(H,11,12);1H.
What are the key properties of 4,4-difluoropiperidine-3-carbohydrazide;hydrochloride?
4,4-difluoropiperidine-3-carbohydrazide;hydrochloride has a molecular weight of 215.63 g/mol, XLogP of -0.36, 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;hydrochloride is sourced from PubChem (CID 130735826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).