N'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide

C7H13F2N3 — CID 130655811

IUPACN'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(F)(F)C1
InChIInChI=1S/C7H13F2N3/c1-2-11-6(10)12-4-3-7(8,9)5-12/h2-5H2,1H3,(H2,10,11)
InChIKeyVPGRNXAYXBAQGG-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.66
Rot. Bonds1

About N'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide

N'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide (PubChem CID 130655811) has the molecular formula C7H13F2N3 and a molecular weight of 177.20 g/mol. Its IUPAC name is N'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide
PubChem CID130655811
Molecular FormulaC7H13F2N3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC NameN'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(F)(F)C1
InChIInChI=1S/C7H13F2N3/c1-2-11-6(10)12-4-3-7(8,9)5-12/h2-5H2,1H3,(H2,10,11)
InChIKeyVPGRNXAYXBAQGG-UHFFFAOYSA-N
XLogP0.66
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.66
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'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide?
The IUPAC name of N'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide (CID 130655811) is N'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide?
The canonical SMILES for N'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide is CC/N=C(\N)N1CCC(F)(F)C1.
What is the InChIKey of N'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide?
The InChIKey is VPGRNXAYXBAQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3/c1-2-11-6(10)12-4-3-7(8,9)5-12/h2-5H2,1H3,(H2,10,11).
What are the key properties of N'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide?
N'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide has a molecular weight of 177.20 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide is sourced from PubChem (CID 130655811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).