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

C6H10ClF2N3 — CID 159470333

IUPACN'-chloro-4,4-difluoropiperidine-1-carboximidamide
SMILESNC(=NCl)N1CCC(F)(F)CC1
InChIInChI=1S/C6H10ClF2N3/c7-11-5(10)12-3-1-6(8,9)2-4-12/h1-4H2,(H2,10,11)
InChIKeyRSDDKTDSRRRWBG-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.19
Rot. Bonds

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

N'-chloro-4,4-difluoropiperidine-1-carboximidamide (PubChem CID 159470333) has the molecular formula C6H10ClF2N3 and a molecular weight of 197.62 g/mol. Its IUPAC name is N'-chloro-4,4-difluoropiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-chloro-4,4-difluoropiperidine-1-carboximidamide
PubChem CID159470333
Molecular FormulaC6H10ClF2N3
Molecular Weight197.62 g/mol
Exact Mass197.05
IUPAC NameN'-chloro-4,4-difluoropiperidine-1-carboximidamide
SMILESNC(=NCl)N1CCC(F)(F)CC1
InChIInChI=1S/C6H10ClF2N3/c7-11-5(10)12-3-1-6(8,9)2-4-12/h1-4H2,(H2,10,11)
InChIKeyRSDDKTDSRRRWBG-UHFFFAOYSA-N
XLogP1.19
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.19
H-Bond Donors ≤ 51
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 N'-chloro-4,4-difluoropiperidine-1-carboximidamide?
The IUPAC name of N'-chloro-4,4-difluoropiperidine-1-carboximidamide (CID 159470333) is N'-chloro-4,4-difluoropiperidine-1-carboximidamide.
What is the SMILES notation for N'-chloro-4,4-difluoropiperidine-1-carboximidamide?
The canonical SMILES for N'-chloro-4,4-difluoropiperidine-1-carboximidamide is NC(=NCl)N1CCC(F)(F)CC1.
What is the InChIKey of N'-chloro-4,4-difluoropiperidine-1-carboximidamide?
The InChIKey is RSDDKTDSRRRWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2N3/c7-11-5(10)12-3-1-6(8,9)2-4-12/h1-4H2,(H2,10,11).
What are the key properties of N'-chloro-4,4-difluoropiperidine-1-carboximidamide?
N'-chloro-4,4-difluoropiperidine-1-carboximidamide has a molecular weight of 197.62 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-chloro-4,4-difluoropiperidine-1-carboximidamide is sourced from PubChem (CID 159470333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).