4-fluoro-2,2-dimethyloxolane

C6H11FO — CID 156722292

IUPAC4-fluoro-2,2-dimethyloxolane
SMILESCC1(C)CC(F)CO1
InChIInChI=1S/C6H11FO/c1-6(2)3-5(7)4-8-6/h5H,3-4H2,1-2H3
InChIKeyMDXBPXVSQMZCOD-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.52
Rot. Bonds

About 4-fluoro-2,2-dimethyloxolane

4-fluoro-2,2-dimethyloxolane (PubChem CID 156722292) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 4-fluoro-2,2-dimethyloxolane.

Molecular Properties

Compound Name4-fluoro-2,2-dimethyloxolane
PubChem CID156722292
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name4-fluoro-2,2-dimethyloxolane
SMILESCC1(C)CC(F)CO1
InChIInChI=1S/C6H11FO/c1-6(2)3-5(7)4-8-6/h5H,3-4H2,1-2H3
InChIKeyMDXBPXVSQMZCOD-UHFFFAOYSA-N
XLogP1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2-dimethyloxolane?
The IUPAC name of 4-fluoro-2,2-dimethyloxolane (CID 156722292) is 4-fluoro-2,2-dimethyloxolane.
What is the SMILES notation for 4-fluoro-2,2-dimethyloxolane?
The canonical SMILES for 4-fluoro-2,2-dimethyloxolane is CC1(C)CC(F)CO1.
What is the InChIKey of 4-fluoro-2,2-dimethyloxolane?
The InChIKey is MDXBPXVSQMZCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-6(2)3-5(7)4-8-6/h5H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-2,2-dimethyloxolane?
4-fluoro-2,2-dimethyloxolane has a molecular weight of 118.15 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2-dimethyloxolane is sourced from PubChem (CID 156722292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).