3,3-difluoro-4-methoxyoxolane

C5H8F2O2 — CID 170720257

IUPAC3,3-difluoro-4-methoxyoxolane
SMILESCOC1COCC1(F)F
InChIInChI=1S/C5H8F2O2/c1-8-4-2-9-3-5(4,6)7/h4H,2-3H2,1H3
InChIKeyBQIKXJOHIWIQDJ-UHFFFAOYSA-N
MW138.11 g/mol
LogP0.67
Rot. Bonds1

About 3,3-difluoro-4-methoxyoxolane

3,3-difluoro-4-methoxyoxolane (PubChem CID 170720257) has the molecular formula C5H8F2O2 and a molecular weight of 138.11 g/mol. Its IUPAC name is 3,3-difluoro-4-methoxyoxolane.

Molecular Properties

Compound Name3,3-difluoro-4-methoxyoxolane
PubChem CID170720257
Molecular FormulaC5H8F2O2
Molecular Weight138.11 g/mol
Exact Mass138.05
IUPAC Name3,3-difluoro-4-methoxyoxolane
SMILESCOC1COCC1(F)F
InChIInChI=1S/C5H8F2O2/c1-8-4-2-9-3-5(4,6)7/h4H,2-3H2,1H3
InChIKeyBQIKXJOHIWIQDJ-UHFFFAOYSA-N
XLogP0.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methoxyoxolane?
The IUPAC name of 3,3-difluoro-4-methoxyoxolane (CID 170720257) is 3,3-difluoro-4-methoxyoxolane.
What is the SMILES notation for 3,3-difluoro-4-methoxyoxolane?
The canonical SMILES for 3,3-difluoro-4-methoxyoxolane is COC1COCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methoxyoxolane?
The InChIKey is BQIKXJOHIWIQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2/c1-8-4-2-9-3-5(4,6)7/h4H,2-3H2,1H3.
What are the key properties of 3,3-difluoro-4-methoxyoxolane?
3,3-difluoro-4-methoxyoxolane has a molecular weight of 138.11 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methoxyoxolane is sourced from PubChem (CID 170720257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).