2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide

C8H13F2N3O — CID 164654796

IUPAC2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide
SMILESN/C(CNC1CC2C(C1)C2(F)F)=N\O
InChIInChI=1S/C8H13F2N3O/c9-8(10)5-1-4(2-6(5)8)12-3-7(11)13-14/h4-6,12,14H,1-3H2,(H2,11,13)
InChIKeySPSLIVHARUNQME-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.37
Rot. Bonds3

About 2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide

2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide (PubChem CID 164654796) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide
PubChem CID164654796
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide
SMILESN/C(CNC1CC2C(C1)C2(F)F)=N\O
InChIInChI=1S/C8H13F2N3O/c9-8(10)5-1-4(2-6(5)8)12-3-7(11)13-14/h4-6,12,14H,1-3H2,(H2,11,13)
InChIKeySPSLIVHARUNQME-UHFFFAOYSA-N
XLogP0.37
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide (CID 164654796) is 2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide is N/C(CNC1CC2C(C1)C2(F)F)=N\O.
What is the InChIKey of 2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is SPSLIVHARUNQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c9-8(10)5-1-4(2-6(5)8)12-3-7(11)13-14/h4-6,12,14H,1-3H2,(H2,11,13).
What are the key properties of 2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide?
2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 205.21 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 164654796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).