8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene

C11H8F4 — CID 134964338

IUPAC8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene
SMILESFC(F)=C1C(=C(F)F)C2C=CC1C=CC2
InChIInChI=1S/C11H8F4/c12-10(13)8-6-2-1-3-7(5-4-6)9(8)11(14)15/h1-2,4-7H,3H2
InChIKeyXDRMCYSYDGNHTM-UHFFFAOYSA-N
MW216.18 g/mol
LogP4.05
Rot. Bonds

About 8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene

8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene (PubChem CID 134964338) has the molecular formula C11H8F4 and a molecular weight of 216.18 g/mol. Its IUPAC name is 8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene.

Molecular Properties

Compound Name8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene
PubChem CID134964338
Molecular FormulaC11H8F4
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene
SMILESFC(F)=C1C(=C(F)F)C2C=CC1C=CC2
InChIInChI=1S/C11H8F4/c12-10(13)8-6-2-1-3-7(5-4-6)9(8)11(14)15/h1-2,4-7H,3H2
InChIKeyXDRMCYSYDGNHTM-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(trifluoromethyl)cycloheptene
CID 162401442
1,3,5,6-Tetrakis(trifluoromethyl)cyclohex-1-ene
CID 550520
11,12-Bis(trifluoromethyl)bicyclo[8.2.2]tetradeca-11,13-diene
CID 12453823
3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)cyclohex-1-ene
CID 129319154
3-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 14295660
3-(1,1,2,3,3,3-Hexafluoropropyl)cyclohex-1-ene
CID 21486071
2-(3,3,4,4,5,5-Hexafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
CID 57628917
[5,7,7,7-Tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium
CID 58690125
(2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene
CID 88556055
(E)-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-2-ene
CID 88590967
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-6-methylcyclohexene
CID 88887882
2-(4,4,5,5-Tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
CID 88894469

Frequently Asked Questions

What is the IUPAC name of 8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene?
The IUPAC name of 8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene (CID 134964338) is 8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene.
What is the SMILES notation for 8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene?
The canonical SMILES for 8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene is FC(F)=C1C(=C(F)F)C2C=CC1C=CC2.
What is the InChIKey of 8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene?
The InChIKey is XDRMCYSYDGNHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4/c12-10(13)8-6-2-1-3-7(5-4-6)9(8)11(14)15/h1-2,4-7H,3H2.
What are the key properties of 8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene?
8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene has a molecular weight of 216.18 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene is sourced from PubChem (CID 134964338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).