1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane

C7H8F6O2 — CID 23568264

IUPAC1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane
SMILESCOCOC1(F)C(C)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H8F6O2/c1-4(8)5(9,10)6(11,12)7(4,13)15-3-14-2/h3H2,1-2H3
InChIKeyVQPKMKSMVGXGFM-UHFFFAOYSA-N
MW238.13 g/mol
LogP2.29
Rot. Bonds3

About 1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane

1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane (PubChem CID 23568264) has the molecular formula C7H8F6O2 and a molecular weight of 238.13 g/mol. Its IUPAC name is 1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane.

Molecular Properties

Compound Name1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane
PubChem CID23568264
Molecular FormulaC7H8F6O2
Molecular Weight238.13 g/mol
Exact Mass238.04
IUPAC Name1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane
SMILESCOCOC1(F)C(C)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H8F6O2/c1-4(8)5(9,10)6(11,12)7(4,13)15-3-14-2/h3H2,1-2H3
InChIKeyVQPKMKSMVGXGFM-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane?
The IUPAC name of 1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane (CID 23568264) is 1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane.
What is the SMILES notation for 1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane?
The canonical SMILES for 1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane is COCOC1(F)C(C)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane?
The InChIKey is VQPKMKSMVGXGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O2/c1-4(8)5(9,10)6(11,12)7(4,13)15-3-14-2/h3H2,1-2H3.
What are the key properties of 1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane?
1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane has a molecular weight of 238.13 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4-hexafluoro-3-(methoxymethoxy)-4-methylcyclobutane is sourced from PubChem (CID 23568264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).