11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C12H9F2NO2 — CID 16679384

IUPAC11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESO=[N+]([O-])c1cccc2c1C1CCC2C1=C(F)F
InChIInChI=1S/C12H9F2NO2/c13-12(14)11-7-4-5-8(11)10-6(7)2-1-3-9(10)15(16)17/h1-3,7-8H,4-5H2
InChIKeyNUUHPWBOBYKPJK-UHFFFAOYSA-N
MW237.20 g/mol
LogP3.72
Rot. Bonds1

About 11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 16679384) has the molecular formula C12H9F2NO2 and a molecular weight of 237.20 g/mol. Its IUPAC name is 11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID16679384
Molecular FormulaC12H9F2NO2
Molecular Weight237.20 g/mol
Exact Mass237.06
IUPAC Name11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESO=[N+]([O-])c1cccc2c1C1CCC2C1=C(F)F
InChIInChI=1S/C12H9F2NO2/c13-12(14)11-7-4-5-8(11)10-6(7)2-1-3-9(10)15(16)17/h1-3,7-8H,4-5H2
InChIKeyNUUHPWBOBYKPJK-UHFFFAOYSA-N
XLogP3.72
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of 11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 16679384) is 11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for 11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for 11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is O=[N+]([O-])c1cccc2c1C1CCC2C1=C(F)F.
What is the InChIKey of 11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is NUUHPWBOBYKPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2/c13-12(14)11-7-4-5-8(11)10-6(7)2-1-3-9(10)15(16)17/h1-3,7-8H,4-5H2.
What are the key properties of 11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 237.20 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(difluoromethylidene)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 16679384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).