3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide

C6H11F2N3 — CID 130698616

IUPAC3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(F)(F)C1
InChIInChI=1S/C6H11F2N3/c1-10-5(9)11-3-2-6(7,8)4-11/h2-4H2,1H3,(H2,9,10)
InChIKeyRHSRSQGEFBVVIP-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.27
Rot. Bonds

About 3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide

3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 130698616) has the molecular formula C6H11F2N3 and a molecular weight of 163.17 g/mol. Its IUPAC name is 3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide
PubChem CID130698616
Molecular FormulaC6H11F2N3
Molecular Weight163.17 g/mol
Exact Mass163.09
IUPAC Name3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(F)(F)C1
InChIInChI=1S/C6H11F2N3/c1-10-5(9)11-3-2-6(7,8)4-11/h2-4H2,1H3,(H2,9,10)
InChIKeyRHSRSQGEFBVVIP-UHFFFAOYSA-N
XLogP0.27
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.27
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 3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of 3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide (CID 130698616) is 3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\N)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is RHSRSQGEFBVVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N3/c1-10-5(9)11-3-2-6(7,8)4-11/h2-4H2,1H3,(H2,9,10).
What are the key properties of 3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide?
3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 163.17 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 130698616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).