6-(3-fluorophenoxy)hexan-3-one

C12H15FO2 — CID 106801939

IUPAC6-(3-fluorophenoxy)hexan-3-one
SMILESCCC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C12H15FO2/c1-2-11(14)6-4-8-15-12-7-3-5-10(13)9-12/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyJSLNFDZVFWEVML-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.96
Rot. Bonds6

About 6-(3-fluorophenoxy)hexan-3-one

6-(3-fluorophenoxy)hexan-3-one (PubChem CID 106801939) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 6-(3-fluorophenoxy)hexan-3-one.

Molecular Properties

Compound Name6-(3-fluorophenoxy)hexan-3-one
PubChem CID106801939
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name6-(3-fluorophenoxy)hexan-3-one
SMILESCCC(=O)CCCOc1cccc(F)c1
InChIInChI=1S/C12H15FO2/c1-2-11(14)6-4-8-15-12-7-3-5-10(13)9-12/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyJSLNFDZVFWEVML-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-fluoro-4-methylphenoxy)hexan-3-one
CID 107169821
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
2-[4-(3-fluorophenoxy)butanoylamino]-3-methylpentanoic acid
CID 119211432
butyl 2-(3-fluorophenoxy)acetate
CID 60644291
7-(3-propoxyphenyl)heptan-3-one
CID 157062342
6-(3-fluorophenyl)hexan-3-one
CID 64521140
6-(4-fluoro-2-methylphenoxy)hexan-3-one
CID 106802146
N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide
CID 119642968
4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
CID 110901665
6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
CID 142194169
5-(3-fluorophenoxy)-2,2-dimethylpentanoic acid
CID 65255314

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenoxy)hexan-3-one?
The IUPAC name of 6-(3-fluorophenoxy)hexan-3-one (CID 106801939) is 6-(3-fluorophenoxy)hexan-3-one.
What is the SMILES notation for 6-(3-fluorophenoxy)hexan-3-one?
The canonical SMILES for 6-(3-fluorophenoxy)hexan-3-one is CCC(=O)CCCOc1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenoxy)hexan-3-one?
The InChIKey is JSLNFDZVFWEVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-2-11(14)6-4-8-15-12-7-3-5-10(13)9-12/h3,5,7,9H,2,4,6,8H2,1H3.
What are the key properties of 6-(3-fluorophenoxy)hexan-3-one?
6-(3-fluorophenoxy)hexan-3-one has a molecular weight of 210.25 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenoxy)hexan-3-one is sourced from PubChem (CID 106801939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).