5-fluoro-2,4,6-trimethyloxan-3-one

C8H13FO2 — CID 59938446

IUPAC5-fluoro-2,4,6-trimethyloxan-3-one
SMILESCC1OC(C)C(F)C(C)C1=O
InChIInChI=1S/C8H13FO2/c1-4-7(9)5(2)11-6(3)8(4)10/h4-7H,1-3H3
InChIKeyHKORKLRACQQRRF-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.34
Rot. Bonds

About 5-fluoro-2,4,6-trimethyloxan-3-one

5-fluoro-2,4,6-trimethyloxan-3-one (PubChem CID 59938446) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 5-fluoro-2,4,6-trimethyloxan-3-one.

Molecular Properties

Compound Name5-fluoro-2,4,6-trimethyloxan-3-one
PubChem CID59938446
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name5-fluoro-2,4,6-trimethyloxan-3-one
SMILESCC1OC(C)C(F)C(C)C1=O
InChIInChI=1S/C8H13FO2/c1-4-7(9)5(2)11-6(3)8(4)10/h4-7H,1-3H3
InChIKeyHKORKLRACQQRRF-UHFFFAOYSA-N
XLogP1.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-2,4,6-trimethyloxan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4,6-trimethyloxan-3-one?
The IUPAC name of 5-fluoro-2,4,6-trimethyloxan-3-one (CID 59938446) is 5-fluoro-2,4,6-trimethyloxan-3-one.
What is the SMILES notation for 5-fluoro-2,4,6-trimethyloxan-3-one?
The canonical SMILES for 5-fluoro-2,4,6-trimethyloxan-3-one is CC1OC(C)C(F)C(C)C1=O.
What is the InChIKey of 5-fluoro-2,4,6-trimethyloxan-3-one?
The InChIKey is HKORKLRACQQRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-4-7(9)5(2)11-6(3)8(4)10/h4-7H,1-3H3.
What are the key properties of 5-fluoro-2,4,6-trimethyloxan-3-one?
5-fluoro-2,4,6-trimethyloxan-3-one has a molecular weight of 160.19 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4,6-trimethyloxan-3-one is sourced from PubChem (CID 59938446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).