3,3-difluoropyrrolidine-1-carboximidamide

C5H9F2N3 — CID 121200791

IUPAC3,3-difluoropyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(F)(F)C1
InChIInChI=1S/C5H9F2N3/c6-5(7)1-2-10(3-5)4(8)9/h1-3H2,(H3,8,9)
InChIKeyXGAWJSKCEPRRJH-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.22
Rot. Bonds

About 3,3-difluoropyrrolidine-1-carboximidamide

3,3-difluoropyrrolidine-1-carboximidamide (PubChem CID 121200791) has the molecular formula C5H9F2N3 and a molecular weight of 149.14 g/mol. Its IUPAC name is 3,3-difluoropyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3,3-difluoropyrrolidine-1-carboximidamide
PubChem CID121200791
Molecular FormulaC5H9F2N3
Molecular Weight149.14 g/mol
Exact Mass149.08
IUPAC Name3,3-difluoropyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(F)(F)C1
InChIInChI=1S/C5H9F2N3/c6-5(7)1-2-10(3-5)4(8)9/h1-3H2,(H3,8,9)
InChIKeyXGAWJSKCEPRRJH-UHFFFAOYSA-N
XLogP0.22
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.22
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 3,3-difluoropyrrolidine-1-carboximidamide?
The IUPAC name of 3,3-difluoropyrrolidine-1-carboximidamide (CID 121200791) is 3,3-difluoropyrrolidine-1-carboximidamide.
What is the SMILES notation for 3,3-difluoropyrrolidine-1-carboximidamide?
The canonical SMILES for 3,3-difluoropyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoropyrrolidine-1-carboximidamide?
The InChIKey is XGAWJSKCEPRRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N3/c6-5(7)1-2-10(3-5)4(8)9/h1-3H2,(H3,8,9).
What are the key properties of 3,3-difluoropyrrolidine-1-carboximidamide?
3,3-difluoropyrrolidine-1-carboximidamide has a molecular weight of 149.14 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropyrrolidine-1-carboximidamide is sourced from PubChem (CID 121200791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).