3-fluoro-6-methyloxan-2-one

C6H9FO2 — CID 66729932

IUPAC3-fluoro-6-methyloxan-2-one
SMILESCC1CCC(F)C(=O)O1
InChIInChI=1S/C6H9FO2/c1-4-2-3-5(7)6(8)9-4/h4-5H,2-3H2,1H3
InChIKeyBGMDWKTUMCFSBX-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.05
Rot. Bonds

About 3-fluoro-6-methyloxan-2-one

3-fluoro-6-methyloxan-2-one (PubChem CID 66729932) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 3-fluoro-6-methyloxan-2-one.

Molecular Properties

Compound Name3-fluoro-6-methyloxan-2-one
PubChem CID66729932
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name3-fluoro-6-methyloxan-2-one
SMILESCC1CCC(F)C(=O)O1
InChIInChI=1S/C6H9FO2/c1-4-2-3-5(7)6(8)9-4/h4-5H,2-3H2,1H3
InChIKeyBGMDWKTUMCFSBX-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyloxan-2-one?
The IUPAC name of 3-fluoro-6-methyloxan-2-one (CID 66729932) is 3-fluoro-6-methyloxan-2-one.
What is the SMILES notation for 3-fluoro-6-methyloxan-2-one?
The canonical SMILES for 3-fluoro-6-methyloxan-2-one is CC1CCC(F)C(=O)O1.
What is the InChIKey of 3-fluoro-6-methyloxan-2-one?
The InChIKey is BGMDWKTUMCFSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-4-2-3-5(7)6(8)9-4/h4-5H,2-3H2,1H3.
What are the key properties of 3-fluoro-6-methyloxan-2-one?
3-fluoro-6-methyloxan-2-one has a molecular weight of 132.13 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyloxan-2-one is sourced from PubChem (CID 66729932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).