3-fluoro-4,4-dimethyloxolan-2-one

C6H9FO2 — CID 102597202

IUPAC3-fluoro-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)C1F
InChIInChI=1S/C6H9FO2/c1-6(2)3-9-5(8)4(6)7/h4H,3H2,1-2H3
InChIKeyXRTLCHKDNFCZQD-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.91
Rot. Bonds

About 3-fluoro-4,4-dimethyloxolan-2-one

3-fluoro-4,4-dimethyloxolan-2-one (PubChem CID 102597202) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 3-fluoro-4,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name3-fluoro-4,4-dimethyloxolan-2-one
PubChem CID102597202
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name3-fluoro-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)C1F
InChIInChI=1S/C6H9FO2/c1-6(2)3-9-5(8)4(6)7/h4H,3H2,1-2H3
InChIKeyXRTLCHKDNFCZQD-UHFFFAOYSA-N
XLogP0.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4,4-dimethyloxolan-2-one?
The IUPAC name of 3-fluoro-4,4-dimethyloxolan-2-one (CID 102597202) is 3-fluoro-4,4-dimethyloxolan-2-one.
What is the SMILES notation for 3-fluoro-4,4-dimethyloxolan-2-one?
The canonical SMILES for 3-fluoro-4,4-dimethyloxolan-2-one is CC1(C)COC(=O)C1F.
What is the InChIKey of 3-fluoro-4,4-dimethyloxolan-2-one?
The InChIKey is XRTLCHKDNFCZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-6(2)3-9-5(8)4(6)7/h4H,3H2,1-2H3.
What are the key properties of 3-fluoro-4,4-dimethyloxolan-2-one?
3-fluoro-4,4-dimethyloxolan-2-one has a molecular weight of 132.13 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4,4-dimethyloxolan-2-one is sourced from PubChem (CID 102597202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).