3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene

C6Cl2F8 — CID 23233385

IUPAC3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(C(F)(F)Cl)C(F)(F)C1(F)Cl
InChIInChI=1S/C6Cl2F8/c7-3(9)1(6(14,15)16)2(4(3,10)11)5(8,12)13
InChIKeyUBAAFZVTXHNDDM-UHFFFAOYSA-N
MW294.96 g/mol
LogP4.23
Rot. Bonds1

About 3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene

3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene (PubChem CID 23233385) has the molecular formula C6Cl2F8 and a molecular weight of 294.96 g/mol. Its IUPAC name is 3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene
PubChem CID23233385
Molecular FormulaC6Cl2F8
Molecular Weight294.96 g/mol
Exact Mass293.92
IUPAC Name3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene
SMILESFC(F)(F)C1=C(C(F)(F)Cl)C(F)(F)C1(F)Cl
InChIInChI=1S/C6Cl2F8/c7-3(9)1(6(14,15)16)2(4(3,10)11)5(8,12)13
InChIKeyUBAAFZVTXHNDDM-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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'}

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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
1,2-Bis[chloro(difluoro)methyl]-3,3,4,4-tetrafluorocyclobutene
CID 23233387
3-Chloro-1-[chloro(difluoro)methyl]-2,3,4,4,5,5-hexafluorocyclopentene
CID 21731934

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene?
The IUPAC name of 3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene (CID 23233385) is 3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene.
What is the SMILES notation for 3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene?
The canonical SMILES for 3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene is FC(F)(F)C1=C(C(F)(F)Cl)C(F)(F)C1(F)Cl.
What is the InChIKey of 3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene?
The InChIKey is UBAAFZVTXHNDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2F8/c7-3(9)1(6(14,15)16)2(4(3,10)11)5(8,12)13.
What are the key properties of 3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene?
3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene has a molecular weight of 294.96 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene is sourced from PubChem (CID 23233385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).