6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one

C17H31FO5 — CID 157179328

IUPAC6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one
SMILESCC(C)C(=O)CCC(F)COCCOCCCCCC(=O)CO
InChIInChI=1S/C17H31FO5/c1-14(2)17(21)8-7-15(18)13-23-11-10-22-9-5-3-4-6-16(20)12-19/h14-15,19H,3-13H2,1-2H3
InChIKeyUWEKXRUPVIGWFU-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.48
Rot. Bonds16

About 6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one

6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one (PubChem CID 157179328) has the molecular formula C17H31FO5 and a molecular weight of 334.43 g/mol. Its IUPAC name is 6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one.

Molecular Properties

Compound Name6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one
PubChem CID157179328
Molecular FormulaC17H31FO5
Molecular Weight334.43 g/mol
Exact Mass334.22
IUPAC Name6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one
SMILESCC(C)C(=O)CCC(F)COCCOCCCCCC(=O)CO
InChIInChI=1S/C17H31FO5/c1-14(2)17(21)8-7-15(18)13-23-11-10-22-9-5-3-4-6-16(20)12-19/h14-15,19H,3-13H2,1-2H3
InChIKeyUWEKXRUPVIGWFU-UHFFFAOYSA-N
XLogP2.48
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-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

Related Compounds

6-Fluoro-2-methyl-7-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-3-one
CID 157224867
6-Fluoro-7-[3-(6-hydroxy-5-oxohexoxy)propoxy]-2-methylheptan-3-one
CID 157179329
6-Methyl-1-[2-(6-methyl-2,5-dioxoheptoxy)ethoxy]heptane-2,5-dione
CID 163840485

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one?
The IUPAC name of 6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one (CID 157179328) is 6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one.
What is the SMILES notation for 6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one?
The canonical SMILES for 6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one is CC(C)C(=O)CCC(F)COCCOCCCCCC(=O)CO.
What is the InChIKey of 6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one?
The InChIKey is UWEKXRUPVIGWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FO5/c1-14(2)17(21)8-7-15(18)13-23-11-10-22-9-5-3-4-6-16(20)12-19/h14-15,19H,3-13H2,1-2H3.
What are the key properties of 6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one?
6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one has a molecular weight of 334.43 g/mol, XLogP of 2.48, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one is sourced from PubChem (CID 157179328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).