15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

C18H10F4 — CID 134942827

IUPAC15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESFC(F)=C1C(=C(F)F)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C18H10F4/c19-17(20)15-13-9-5-1-2-6-10(9)14(16(15)18(21)22)12-8-4-3-7-11(12)13/h1-8,13-14H
InChIKeyXWLYBGQJLRBNMG-UHFFFAOYSA-N
MW302.27 g/mol
LogP5.58
Rot. Bonds

About 15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (PubChem CID 134942827) has the molecular formula C18H10F4 and a molecular weight of 302.27 g/mol. Its IUPAC name is 15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene.

Molecular Properties

Compound Name15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
PubChem CID134942827
Molecular FormulaC18H10F4
Molecular Weight302.27 g/mol
Exact Mass302.07
IUPAC Name15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
SMILESFC(F)=C1C(=C(F)F)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C18H10F4/c19-17(20)15-13-9-5-1-2-6-10(9)14(16(15)18(21)22)12-8-4-3-7-11(12)13/h1-8,13-14H
InChIKeyXWLYBGQJLRBNMG-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.27
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The IUPAC name of 15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene (CID 134942827) is 15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene.
What is the SMILES notation for 15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The canonical SMILES for 15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is FC(F)=C1C(=C(F)F)C2c3ccccc3C1c1ccccc12.
What is the InChIKey of 15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
The InChIKey is XWLYBGQJLRBNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4/c19-17(20)15-13-9-5-1-2-6-10(9)14(16(15)18(21)22)12-8-4-3-7-11(12)13/h1-8,13-14H.
What are the key properties of 15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene?
15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene has a molecular weight of 302.27 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-bis(difluoromethylidene)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene is sourced from PubChem (CID 134942827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).