3,3-difluoro-4-methyloxolane

C5H8F2O — CID 129270059

IUPAC3,3-difluoro-4-methyloxolane
SMILESCC1COCC1(F)F
InChIInChI=1S/C5H8F2O/c1-4-2-8-3-5(4,6)7/h4H,2-3H2,1H3
InChIKeyDDQFJTACESLFAA-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.29
Rot. Bonds

About 3,3-difluoro-4-methyloxolane

3,3-difluoro-4-methyloxolane (PubChem CID 129270059) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 3,3-difluoro-4-methyloxolane.

Molecular Properties

Compound Name3,3-difluoro-4-methyloxolane
PubChem CID129270059
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name3,3-difluoro-4-methyloxolane
SMILESCC1COCC1(F)F
InChIInChI=1S/C5H8F2O/c1-4-2-8-3-5(4,6)7/h4H,2-3H2,1H3
InChIKeyDDQFJTACESLFAA-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyloxolane?
The IUPAC name of 3,3-difluoro-4-methyloxolane (CID 129270059) is 3,3-difluoro-4-methyloxolane.
What is the SMILES notation for 3,3-difluoro-4-methyloxolane?
The canonical SMILES for 3,3-difluoro-4-methyloxolane is CC1COCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methyloxolane?
The InChIKey is DDQFJTACESLFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-4-2-8-3-5(4,6)7/h4H,2-3H2,1H3.
What are the key properties of 3,3-difluoro-4-methyloxolane?
3,3-difluoro-4-methyloxolane has a molecular weight of 122.11 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyloxolane is sourced from PubChem (CID 129270059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).