11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene

C12H7F2NO2 — CID 162556398

IUPAC11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene
SMILESO=[N+]([O-])c1cccc2c1C1CC=C2C1=C(F)F
InChIInChI=1S/C12H7F2NO2/c13-12(14)11-7-4-5-8(11)10-6(7)2-1-3-9(10)15(16)17/h1-4,8H,5H2
InChIKeyKINOLQZUVGLLTI-UHFFFAOYSA-N
MW235.19 g/mol
LogP3.63
Rot. Bonds1

About 11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene

11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene (PubChem CID 162556398) has the molecular formula C12H7F2NO2 and a molecular weight of 235.19 g/mol. Its IUPAC name is 11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene.

Molecular Properties

Compound Name11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene
PubChem CID162556398
Molecular FormulaC12H7F2NO2
Molecular Weight235.19 g/mol
Exact Mass235.04
IUPAC Name11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene
SMILESO=[N+]([O-])c1cccc2c1C1CC=C2C1=C(F)F
InChIInChI=1S/C12H7F2NO2/c13-12(14)11-7-4-5-8(11)10-6(7)2-1-3-9(10)15(16)17/h1-4,8H,5H2
InChIKeyKINOLQZUVGLLTI-UHFFFAOYSA-N
XLogP3.63
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of 11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene?
The IUPAC name of 11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene (CID 162556398) is 11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene.
What is the SMILES notation for 11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene?
The canonical SMILES for 11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene is O=[N+]([O-])c1cccc2c1C1CC=C2C1=C(F)F.
What is the InChIKey of 11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene?
The InChIKey is KINOLQZUVGLLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2/c13-12(14)11-7-4-5-8(11)10-6(7)2-1-3-9(10)15(16)17/h1-4,8H,5H2.
What are the key properties of 11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene?
11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene has a molecular weight of 235.19 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(difluoromethylidene)-6-nitrotricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5-tetraene is sourced from PubChem (CID 162556398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).