1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene

C6Cl2F8 — CID 23233387

IUPAC1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene
SMILESFC(F)(Cl)C1=C(C(F)(F)Cl)C(F)(F)C1(F)F
InChIInChI=1S/C6Cl2F8/c7-5(13,14)1-2(6(8,15)16)4(11,12)3(1,9)10
InChIKeyGOCBWXZPBZWHEL-UHFFFAOYSA-N
MW294.96 g/mol
LogP4.23
Rot. Bonds2

About 1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene

1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene (PubChem CID 23233387) has the molecular formula C6Cl2F8 and a molecular weight of 294.96 g/mol. Its IUPAC name is 1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene.

Molecular Properties

Compound Name1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene
PubChem CID23233387
Molecular FormulaC6Cl2F8
Molecular Weight294.96 g/mol
Exact Mass293.92
IUPAC Name1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene
SMILESFC(F)(Cl)C1=C(C(F)(F)Cl)C(F)(F)C1(F)F
InChIInChI=1S/C6Cl2F8/c7-5(13,14)1-2(6(8,15)16)4(11,12)3(1,9)10
InChIKeyGOCBWXZPBZWHEL-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.96
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopentene
CID 2736599
1-[Chloro(difluoro)methyl]-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 21731932
3-Chloro-1-[chloro(difluoro)methyl]-2,3,4,4,5,5-hexafluorocyclopentene
CID 21731934
3-Chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene
CID 23233385

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene?
The IUPAC name of 1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene (CID 23233387) is 1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene.
What is the SMILES notation for 1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene?
The canonical SMILES for 1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene is FC(F)(Cl)C1=C(C(F)(F)Cl)C(F)(F)C1(F)F.
What is the InChIKey of 1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene?
The InChIKey is GOCBWXZPBZWHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2F8/c7-5(13,14)1-2(6(8,15)16)4(11,12)3(1,9)10.
What are the key properties of 1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene?
1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene has a molecular weight of 294.96 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene is sourced from PubChem (CID 23233387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).