2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine

C7H11F2N3 — CID 164655478

IUPAC2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine
SMILESNC(N)=NC1CC2C(C1)C2(F)F
InChIInChI=1S/C7H11F2N3/c8-7(9)4-1-3(2-5(4)7)12-6(10)11/h3-5H,1-2H2,(H4,10,11,12)
InChIKeyVLDBQZQNSSTTEZ-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.30
Rot. Bonds1

About 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine

2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine (PubChem CID 164655478) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine.

Molecular Properties

Compound Name2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine
PubChem CID164655478
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine
SMILESNC(N)=NC1CC2C(C1)C2(F)F
InChIInChI=1S/C7H11F2N3/c8-7(9)4-1-3(2-5(4)7)12-6(10)11/h3-5H,1-2H2,(H4,10,11,12)
InChIKeyVLDBQZQNSSTTEZ-UHFFFAOYSA-N
XLogP0.30
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.30
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 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine?
The IUPAC name of 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine (CID 164655478) is 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine.
What is the SMILES notation for 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine?
The canonical SMILES for 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine is NC(N)=NC1CC2C(C1)C2(F)F.
What is the InChIKey of 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine?
The InChIKey is VLDBQZQNSSTTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c8-7(9)4-1-3(2-5(4)7)12-6(10)11/h3-5H,1-2H2,(H4,10,11,12).
What are the key properties of 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine?
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine has a molecular weight of 175.18 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine is sourced from PubChem (CID 164655478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).