N'-cyano-4,4-difluoropiperidine-1-carboximidamide

C7H10F2N4 — CID 122662849

IUPACN'-cyano-4,4-difluoropiperidine-1-carboximidamide
SMILESN#C/N=C(\N)N1CCC(F)(F)CC1
InChIInChI=1S/C7H10F2N4/c8-7(9)1-3-13(4-2-7)6(11)12-5-10/h1-4H2,(H2,11,12)
InChIKeyFNVLLLFDJKZLHZ-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.51
Rot. Bonds

About N'-cyano-4,4-difluoropiperidine-1-carboximidamide

N'-cyano-4,4-difluoropiperidine-1-carboximidamide (PubChem CID 122662849) has the molecular formula C7H10F2N4 and a molecular weight of 188.18 g/mol. Its IUPAC name is N'-cyano-4,4-difluoropiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyano-4,4-difluoropiperidine-1-carboximidamide
PubChem CID122662849
Molecular FormulaC7H10F2N4
Molecular Weight188.18 g/mol
Exact Mass188.09
IUPAC NameN'-cyano-4,4-difluoropiperidine-1-carboximidamide
SMILESN#C/N=C(\N)N1CCC(F)(F)CC1
InChIInChI=1S/C7H10F2N4/c8-7(9)1-3-13(4-2-7)6(11)12-5-10/h1-4H2,(H2,11,12)
InChIKeyFNVLLLFDJKZLHZ-UHFFFAOYSA-N
XLogP0.51
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'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 N'-cyano-4,4-difluoropiperidine-1-carboximidamide?
The IUPAC name of N'-cyano-4,4-difluoropiperidine-1-carboximidamide (CID 122662849) is N'-cyano-4,4-difluoropiperidine-1-carboximidamide.
What is the SMILES notation for N'-cyano-4,4-difluoropiperidine-1-carboximidamide?
The canonical SMILES for N'-cyano-4,4-difluoropiperidine-1-carboximidamide is N#C/N=C(\N)N1CCC(F)(F)CC1.
What is the InChIKey of N'-cyano-4,4-difluoropiperidine-1-carboximidamide?
The InChIKey is FNVLLLFDJKZLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4/c8-7(9)1-3-13(4-2-7)6(11)12-5-10/h1-4H2,(H2,11,12).
What are the key properties of N'-cyano-4,4-difluoropiperidine-1-carboximidamide?
N'-cyano-4,4-difluoropiperidine-1-carboximidamide has a molecular weight of 188.18 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-4,4-difluoropiperidine-1-carboximidamide is sourced from PubChem (CID 122662849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).