N-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide

C6H11F2N5 — CID 122656959

IUPACN-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(F)(F)C1
InChIInChI=1S/C6H11F2N5/c7-6(8)1-2-13(3-6)5(11)12-4(9)10/h1-3H2,(H5,9,10,11,12)
InChIKeyWSAJHBNOMLVDLD-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.46
Rot. Bonds

About N-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide

N-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide (PubChem CID 122656959) has the molecular formula C6H11F2N5 and a molecular weight of 191.19 g/mol. Its IUPAC name is N-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide
PubChem CID122656959
Molecular FormulaC6H11F2N5
Molecular Weight191.19 g/mol
Exact Mass191.10
IUPAC NameN-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(F)(F)C1
InChIInChI=1S/C6H11F2N5/c7-6(8)1-2-13(3-6)5(11)12-4(9)10/h1-3H2,(H5,9,10,11,12)
InChIKeyWSAJHBNOMLVDLD-UHFFFAOYSA-N
XLogP-0.46
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
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-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide (CID 122656959) is N-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCC(F)(F)C1.
What is the InChIKey of N-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide?
The InChIKey is WSAJHBNOMLVDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N5/c7-6(8)1-2-13(3-6)5(11)12-4(9)10/h1-3H2,(H5,9,10,11,12).
What are the key properties of N-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide?
N-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide has a molecular weight of 191.19 g/mol, XLogP of -0.46, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide is sourced from PubChem (CID 122656959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).