1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane

C5H4F6O — CID 13332853

IUPAC1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane
SMILESCOC1(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H4F6O/c1-12-4(9)2(6)3(7,8)5(4,10)11/h2H,1H3
InChIKeyMTVQNSQWIQVRRS-UHFFFAOYSA-N
MW194.07 g/mol
LogP1.92
Rot. Bonds1

About 1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane

1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane (PubChem CID 13332853) has the molecular formula C5H4F6O and a molecular weight of 194.07 g/mol. Its IUPAC name is 1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane.

Molecular Properties

Compound Name1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane
PubChem CID13332853
Molecular FormulaC5H4F6O
Molecular Weight194.07 g/mol
Exact Mass194.02
IUPAC Name1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane
SMILESCOC1(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H4F6O/c1-12-4(9)2(6)3(7,8)5(4,10)11/h2H,1H3
InChIKeyMTVQNSQWIQVRRS-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-methoxycyclobutane?
The IUPAC name of 1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane (CID 13332853) is 1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane.
What is the SMILES notation for 1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane?
The canonical SMILES for 1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane is COC1(F)C(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane?
The InChIKey is MTVQNSQWIQVRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O/c1-12-4(9)2(6)3(7,8)5(4,10)11/h2H,1H3.
What are the key properties of 1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane?
1,1,2,2,3,4-hexafluoro-3-methoxycyclobutane has a molecular weight of 194.07 g/mol, XLogP of 1.92, 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-methoxycyclobutane is sourced from PubChem (CID 13332853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).