1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane

C6H6F6O — CID 59710679

IUPAC1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane
SMILESCOC1(F)C(C)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H6F6O/c1-3(7)4(8,9)5(10,11)6(3,12)13-2/h1-2H3
InChIKeyJTZOIKFKDKCUQB-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.31
Rot. Bonds1

About 1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane

1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane (PubChem CID 59710679) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane.

Molecular Properties

Compound Name1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane
PubChem CID59710679
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane
SMILESCOC1(F)C(C)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H6F6O/c1-3(7)4(8,9)5(10,11)6(3,12)13-2/h1-2H3
InChIKeyJTZOIKFKDKCUQB-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[Difluoro(methoxy)methyl]cyclobutane
CID 18725578
1,1,1,2,3,3,4,5,5,5-Decafluoro-2-methoxy-4-methylpentane
CID 20085051
1-Methoxy-1-(trifluoromethyl)cyclobutane
CID 66584595
1,1,1,2,3,4,5,5,5-Nonafluoro-2-methoxy-4-(trifluoromethyl)pentane
CID 88984962
1,1,1,2,2,3,4,5,5-Nonafluoro-4-methoxy-3-(trifluoromethyl)pentane
CID 150078902
1,1,1,2,3,3,4,5,5-Nonafluoro-4-methoxy-2-(trifluoromethyl)pentane
CID 150254934
[Difluoro(methoxy)methyl]cyclobutane;hydrofluoride
CID 160928700
1,1-Difluoro-3-methoxy-3-methylcyclobutane
CID 164597904
1-(Trifluoromethoxy)-2-(trifluoromethyl)cyclobutane
CID 173901844
1,1,2,3,4-Pentafluoro-2-methoxy-3-methylcyclobutane
CID 174327605
1,1,2-Trifluoro-3-methoxy-2-methylcyclobutane
CID 176704630

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane?
The IUPAC name of 1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane (CID 59710679) is 1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane.
What is the SMILES notation for 1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane?
The canonical SMILES for 1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane is COC1(F)C(C)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane?
The InChIKey is JTZOIKFKDKCUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c1-3(7)4(8,9)5(10,11)6(3,12)13-2/h1-2H3.
What are the key properties of 1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane?
1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane has a molecular weight of 208.10 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane is sourced from PubChem (CID 59710679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).