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

C6Cl2F8 — CID 23233386

IUPAC3-chloro-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene
SMILESFC1=C(C(F)(F)F)C(Cl)(C(F)(F)Cl)C1(F)F
InChIInChI=1S/C6Cl2F8/c7-3(6(8,15)16)1(5(12,13)14)2(9)4(3,10)11
InChIKeyYTOARQDZEIIZNF-UHFFFAOYSA-N
MW294.96 g/mol
LogP4.23
Rot. Bonds1

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

3-chloro-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene (PubChem CID 23233386) has the molecular formula C6Cl2F8 and a molecular weight of 294.96 g/mol. Its IUPAC name is 3-chloro-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name3-chloro-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene
PubChem CID23233386
Molecular FormulaC6Cl2F8
Molecular Weight294.96 g/mol
Exact Mass293.92
IUPAC Name3-chloro-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene
SMILESFC1=C(C(F)(F)F)C(Cl)(C(F)(F)Cl)C1(F)F
InChIInChI=1S/C6Cl2F8/c7-3(6(8,15)16)1(5(12,13)14)2(9)4(3,10)11
InChIKeyYTOARQDZEIIZNF-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'}

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Related Compounds

3-chloro-1-[chloro(difluoro)methyl]-3,4,4-trifluoro-2-(trifluoromethyl)cyclobutene
CID 23233385
1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene
CID 12697774
1,3-difluoro-2,3,4,4-tetrakis(trifluoromethyl)cyclobutene
CID 154989601
3,3,4,4,5,5-hexafluoro-1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]-2-(trifluoromethyl)cyclopentene
CID 12661372
1,3,3,4,4-pentafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclobutene
CID 155681390
3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene
CID 175040926
5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene
CID 14024623
1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene
CID 134977949
(1Z,5Z)-1,2,3,3,4,4,5,6,7,7,8,8-dodecafluorocycloocta-1,5-diene;platinum
CID 87582607
3,3,4,4,5,5,6,6-octafluoro-1-methoxy-2-(trifluoromethyl)cyclohexene
CID 15579289
2-chloro-3-[chloro(difluoro)methyl]-2-fluoro-3-methyloxirane
CID 151305254
chloro(trifluoro)methane;ethane
CID 23131533

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene?
The IUPAC name of 3-chloro-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene (CID 23233386) is 3-chloro-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene.
What is the SMILES notation for 3-chloro-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene?
The canonical SMILES for 3-chloro-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene is FC1=C(C(F)(F)F)C(Cl)(C(F)(F)Cl)C1(F)F.
What is the InChIKey of 3-chloro-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene?
The InChIKey is YTOARQDZEIIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2F8/c7-3(6(8,15)16)1(5(12,13)14)2(9)4(3,10)11.
What are the key properties of 3-chloro-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene?
3-chloro-3-[chloro(difluoro)methyl]-1,4,4-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-3-[chloro(difluoro)methyl]-1,4,4-trifluoro-2-(trifluoromethyl)cyclobutene is sourced from PubChem (CID 23233386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).