1-(4-fluorophenyl)-5-methoxyhexan-1-one

C13H17FO2 — CID 145375839

IUPAC1-(4-fluorophenyl)-5-methoxyhexan-1-one
SMILESCOC(C)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c1-10(16-2)4-3-5-13(15)11-6-8-12(14)9-7-11/h6-10H,3-5H2,1-2H3
InChIKeyRRZFLCBVDZMSGW-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.21
Rot. Bonds6

About 1-(4-fluorophenyl)-5-methoxyhexan-1-one

1-(4-fluorophenyl)-5-methoxyhexan-1-one (PubChem CID 145375839) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methoxyhexan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methoxyhexan-1-one
PubChem CID145375839
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-(4-fluorophenyl)-5-methoxyhexan-1-one
SMILESCOC(C)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c1-10(16-2)4-3-5-13(15)11-6-8-12(14)9-7-11/h6-10H,3-5H2,1-2H3
InChIKeyRRZFLCBVDZMSGW-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68637188
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1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane
CID 160891216
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
CID 43792985
1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one
CID 62030414
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
CID 43793380
4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one
CID 64638253
1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one
CID 61427319
2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
CID 60902739
1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
CID 82952009
1-(4-fluorophenyl)-4-(2-methoxyethylsulfonyl)butan-1-one
CID 64644323

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methoxyhexan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-5-methoxyhexan-1-one (CID 145375839) is 1-(4-fluorophenyl)-5-methoxyhexan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methoxyhexan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-methoxyhexan-1-one is COC(C)CCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methoxyhexan-1-one?
The InChIKey is RRZFLCBVDZMSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-10(16-2)4-3-5-13(15)11-6-8-12(14)9-7-11/h6-10H,3-5H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-5-methoxyhexan-1-one?
1-(4-fluorophenyl)-5-methoxyhexan-1-one has a molecular weight of 224.28 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methoxyhexan-1-one is sourced from PubChem (CID 145375839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).