3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane

C6F8 — CID 12790031

IUPAC3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane
SMILESFC(F)=C1C(=C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C6F8/c7-3(8)1-2(4(9)10)6(13,14)5(1,11)12
InChIKeyFUTRNCQHLGRBMN-UHFFFAOYSA-N
MW224.05 g/mol
LogP3.57
Rot. Bonds

About 3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane

3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane (PubChem CID 12790031) has the molecular formula C6F8 and a molecular weight of 224.05 g/mol. Its IUPAC name is 3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane.

Molecular Properties

Compound Name3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane
PubChem CID12790031
Molecular FormulaC6F8
Molecular Weight224.05 g/mol
Exact Mass223.99
IUPAC Name3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane
SMILESFC(F)=C1C(=C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C6F8/c7-3(8)1-2(4(9)10)6(13,14)5(1,11)12
InChIKeyFUTRNCQHLGRBMN-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane?
The IUPAC name of 3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane (CID 12790031) is 3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane.
What is the SMILES notation for 3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane?
The canonical SMILES for 3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane is FC(F)=C1C(=C(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane?
The InChIKey is FUTRNCQHLGRBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F8/c7-3(8)1-2(4(9)10)6(13,14)5(1,11)12.
What are the key properties of 3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane?
3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane has a molecular weight of 224.05 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(difluoromethylidene)-1,1,2,2-tetrafluorocyclobutane is sourced from PubChem (CID 12790031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).