3-ethyl-3,4-difluorooxolane

C6H10F2O — CID 58864056

IUPAC3-ethyl-3,4-difluorooxolane
SMILESCCC1(F)COCC1F
InChIInChI=1S/C6H10F2O/c1-2-6(8)4-9-3-5(6)7/h5H,2-4H2,1H3
InChIKeyYQMWHBBFAUPEBE-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.47
Rot. Bonds1

About 3-ethyl-3,4-difluorooxolane

3-ethyl-3,4-difluorooxolane (PubChem CID 58864056) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 3-ethyl-3,4-difluorooxolane.

Molecular Properties

Compound Name3-ethyl-3,4-difluorooxolane
PubChem CID58864056
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name3-ethyl-3,4-difluorooxolane
SMILESCCC1(F)COCC1F
InChIInChI=1S/C6H10F2O/c1-2-6(8)4-9-3-5(6)7/h5H,2-4H2,1H3
InChIKeyYQMWHBBFAUPEBE-UHFFFAOYSA-N
XLogP1.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,4-difluorooxolane?
The IUPAC name of 3-ethyl-3,4-difluorooxolane (CID 58864056) is 3-ethyl-3,4-difluorooxolane.
What is the SMILES notation for 3-ethyl-3,4-difluorooxolane?
The canonical SMILES for 3-ethyl-3,4-difluorooxolane is CCC1(F)COCC1F.
What is the InChIKey of 3-ethyl-3,4-difluorooxolane?
The InChIKey is YQMWHBBFAUPEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-2-6(8)4-9-3-5(6)7/h5H,2-4H2,1H3.
What are the key properties of 3-ethyl-3,4-difluorooxolane?
3-ethyl-3,4-difluorooxolane has a molecular weight of 136.14 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,4-difluorooxolane is sourced from PubChem (CID 58864056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).