3,3-difluoropiperidine-1-carbohydrazide

C6H11F2N3O — CID 116991543

IUPAC3,3-difluoropiperidine-1-carbohydrazide
SMILESNNC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2N3O/c7-6(8)2-1-3-11(4-6)5(12)10-9/h1-4,9H2,(H,10,12)
InChIKeyPSKPSCDRZAOFDR-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.30
Rot. Bonds

About 3,3-difluoropiperidine-1-carbohydrazide

3,3-difluoropiperidine-1-carbohydrazide (PubChem CID 116991543) has the molecular formula C6H11F2N3O and a molecular weight of 179.17 g/mol. Its IUPAC name is 3,3-difluoropiperidine-1-carbohydrazide.

Molecular Properties

Compound Name3,3-difluoropiperidine-1-carbohydrazide
PubChem CID116991543
Molecular FormulaC6H11F2N3O
Molecular Weight179.17 g/mol
Exact Mass179.09
IUPAC Name3,3-difluoropiperidine-1-carbohydrazide
SMILESNNC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2N3O/c7-6(8)2-1-3-11(4-6)5(12)10-9/h1-4,9H2,(H,10,12)
InChIKeyPSKPSCDRZAOFDR-UHFFFAOYSA-N
XLogP0.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.30
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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Related Compounds

3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
ethyl 3,3-difluoropiperidine-1-carboxylate
CID 118335614
1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
CID 118330204
4-hydroxy-4-methylazepane-1-carbohydrazide
CID 107405919
(3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116991510
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide
CID 130524196
4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one
CID 116991427
3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane
CID 164555762
3,3-difluoro-N'-methylpiperidine-1-carboximidamide
CID 164647181
5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid
CID 116991461
1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 116991513

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropiperidine-1-carbohydrazide?
The IUPAC name of 3,3-difluoropiperidine-1-carbohydrazide (CID 116991543) is 3,3-difluoropiperidine-1-carbohydrazide.
What is the SMILES notation for 3,3-difluoropiperidine-1-carbohydrazide?
The canonical SMILES for 3,3-difluoropiperidine-1-carbohydrazide is NNC(=O)N1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoropiperidine-1-carbohydrazide?
The InChIKey is PSKPSCDRZAOFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N3O/c7-6(8)2-1-3-11(4-6)5(12)10-9/h1-4,9H2,(H,10,12).
What are the key properties of 3,3-difluoropiperidine-1-carbohydrazide?
3,3-difluoropiperidine-1-carbohydrazide has a molecular weight of 179.17 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropiperidine-1-carbohydrazide is sourced from PubChem (CID 116991543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).