3-fluoro-2,4-dimethyloxolane

C6H11FO — CID 171762004

IUPAC3-fluoro-2,4-dimethyloxolane
SMILESCC1COC(C)C1F
InChIInChI=1S/C6H11FO/c1-4-3-8-5(2)6(4)7/h4-6H,3H2,1-2H3
InChIKeyLJVBNDMLRCMFLT-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.38
Rot. Bonds

About 3-fluoro-2,4-dimethyloxolane

3-fluoro-2,4-dimethyloxolane (PubChem CID 171762004) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-fluoro-2,4-dimethyloxolane.

Molecular Properties

Compound Name3-fluoro-2,4-dimethyloxolane
PubChem CID171762004
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name3-fluoro-2,4-dimethyloxolane
SMILESCC1COC(C)C1F
InChIInChI=1S/C6H11FO/c1-4-3-8-5(2)6(4)7/h4-6H,3H2,1-2H3
InChIKeyLJVBNDMLRCMFLT-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4-dimethyloxolane?
The IUPAC name of 3-fluoro-2,4-dimethyloxolane (CID 171762004) is 3-fluoro-2,4-dimethyloxolane.
What is the SMILES notation for 3-fluoro-2,4-dimethyloxolane?
The canonical SMILES for 3-fluoro-2,4-dimethyloxolane is CC1COC(C)C1F.
What is the InChIKey of 3-fluoro-2,4-dimethyloxolane?
The InChIKey is LJVBNDMLRCMFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-4-3-8-5(2)6(4)7/h4-6H,3H2,1-2H3.
What are the key properties of 3-fluoro-2,4-dimethyloxolane?
3-fluoro-2,4-dimethyloxolane has a molecular weight of 118.15 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4-dimethyloxolane is sourced from PubChem (CID 171762004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).