4,4-difluoropiperidine-1-carboximidamide

C6H11F2N3 — CID 121200766

IUPAC4,4-difluoropiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2N3/c7-6(8)1-3-11(4-2-6)5(9)10/h1-4H2,(H3,9,10)
InChIKeyWXUKBYKHIOOVAU-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.61
Rot. Bonds

About 4,4-difluoropiperidine-1-carboximidamide

4,4-difluoropiperidine-1-carboximidamide (PubChem CID 121200766) has the molecular formula C6H11F2N3 and a molecular weight of 163.17 g/mol. Its IUPAC name is 4,4-difluoropiperidine-1-carboximidamide.

Molecular Properties

Compound Name4,4-difluoropiperidine-1-carboximidamide
PubChem CID121200766
Molecular FormulaC6H11F2N3
Molecular Weight163.17 g/mol
Exact Mass163.09
IUPAC Name4,4-difluoropiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2N3/c7-6(8)1-3-11(4-2-6)5(9)10/h1-4H2,(H3,9,10)
InChIKeyWXUKBYKHIOOVAU-UHFFFAOYSA-N
XLogP0.61
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine-1-carboximidamide?
The IUPAC name of 4,4-difluoropiperidine-1-carboximidamide (CID 121200766) is 4,4-difluoropiperidine-1-carboximidamide.
What is the SMILES notation for 4,4-difluoropiperidine-1-carboximidamide?
The canonical SMILES for 4,4-difluoropiperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoropiperidine-1-carboximidamide?
The InChIKey is WXUKBYKHIOOVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N3/c7-6(8)1-3-11(4-2-6)5(9)10/h1-4H2,(H3,9,10).
What are the key properties of 4,4-difluoropiperidine-1-carboximidamide?
4,4-difluoropiperidine-1-carboximidamide has a molecular weight of 163.17 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine-1-carboximidamide is sourced from PubChem (CID 121200766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).