(2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene

C12H8F4 — CID 134942847

IUPAC(2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene
SMILESFC(F)=C1C(=C(F)F)C2C=CC1/C=C\C=C/2
InChIInChI=1S/C12H8F4/c13-11(14)9-7-3-1-2-4-8(6-5-7)10(9)12(15)16/h1-8H/b3-1-,4-2-
InChIKeyXXUOBGRNZUCCNY-CCAGOZQPSA-N
MW228.19 g/mol
LogP4.22
Rot. Bonds

About (2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene

(2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene (PubChem CID 134942847) has the molecular formula C12H8F4 and a molecular weight of 228.19 g/mol. Its IUPAC name is (2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene.

Molecular Properties

Compound Name(2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene
PubChem CID134942847
Molecular FormulaC12H8F4
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name(2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene
SMILESFC(F)=C1C(=C(F)F)C2C=CC1/C=C\C=C/2
InChIInChI=1S/C12H8F4/c13-11(14)9-7-3-1-2-4-8(6-5-7)10(9)12(15)16/h1-8H/b3-1-,4-2-
InChIKeyXXUOBGRNZUCCNY-CCAGOZQPSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene?
The IUPAC name of (2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene (CID 134942847) is (2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene.
What is the SMILES notation for (2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene?
The canonical SMILES for (2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene is FC(F)=C1C(=C(F)F)C2C=CC1/C=C\C=C/2.
What is the InChIKey of (2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene?
The InChIKey is XXUOBGRNZUCCNY-CCAGOZQPSA-N. The full InChI is InChI=1S/C12H8F4/c13-11(14)9-7-3-1-2-4-8(6-5-7)10(9)12(15)16/h1-8H/b3-1-,4-2-.
What are the key properties of (2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene?
(2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene has a molecular weight of 228.19 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene is sourced from PubChem (CID 134942847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).