4-fluoro-2,2,4-trimethyloxolane

C7H13FO — CID 145025413

IUPAC4-fluoro-2,2,4-trimethyloxolane
SMILESCC1(F)COC(C)(C)C1
InChIInChI=1S/C7H13FO/c1-6(2)4-7(3,8)5-9-6/h4-5H2,1-3H3
InChIKeyWRVRROMGNXNGIS-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.91
Rot. Bonds

About 4-fluoro-2,2,4-trimethyloxolane

4-fluoro-2,2,4-trimethyloxolane (PubChem CID 145025413) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 4-fluoro-2,2,4-trimethyloxolane.

Molecular Properties

Compound Name4-fluoro-2,2,4-trimethyloxolane
PubChem CID145025413
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name4-fluoro-2,2,4-trimethyloxolane
SMILESCC1(F)COC(C)(C)C1
InChIInChI=1S/C7H13FO/c1-6(2)4-7(3,8)5-9-6/h4-5H2,1-3H3
InChIKeyWRVRROMGNXNGIS-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2,4-trimethyloxolane?
The IUPAC name of 4-fluoro-2,2,4-trimethyloxolane (CID 145025413) is 4-fluoro-2,2,4-trimethyloxolane.
What is the SMILES notation for 4-fluoro-2,2,4-trimethyloxolane?
The canonical SMILES for 4-fluoro-2,2,4-trimethyloxolane is CC1(F)COC(C)(C)C1.
What is the InChIKey of 4-fluoro-2,2,4-trimethyloxolane?
The InChIKey is WRVRROMGNXNGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-6(2)4-7(3,8)5-9-6/h4-5H2,1-3H3.
What are the key properties of 4-fluoro-2,2,4-trimethyloxolane?
4-fluoro-2,2,4-trimethyloxolane has a molecular weight of 132.18 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2,4-trimethyloxolane is sourced from PubChem (CID 145025413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).