methyl 2-fluoro-3-oxododecanoate

C13H23FO3 — CID 141197568

IUPACmethyl 2-fluoro-3-oxododecanoate
SMILESCCCCCCCCCC(=O)C(F)C(=O)OC
InChIInChI=1S/C13H23FO3/c1-3-4-5-6-7-8-9-10-11(15)12(14)13(16)17-2/h12H,3-10H2,1-2H3
InChIKeyUHOMBFQLYHPXRV-UHFFFAOYSA-N
MW246.32 g/mol
LogP3.21
Rot. Bonds10

About methyl 2-fluoro-3-oxododecanoate

methyl 2-fluoro-3-oxododecanoate (PubChem CID 141197568) has the molecular formula C13H23FO3 and a molecular weight of 246.32 g/mol. Its IUPAC name is methyl 2-fluoro-3-oxododecanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-oxododecanoate
PubChem CID141197568
Molecular FormulaC13H23FO3
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Namemethyl 2-fluoro-3-oxododecanoate
SMILESCCCCCCCCCC(=O)C(F)C(=O)OC
InChIInChI=1S/C13H23FO3/c1-3-4-5-6-7-8-9-10-11(15)12(14)13(16)17-2/h12H,3-10H2,1-2H3
InChIKeyUHOMBFQLYHPXRV-UHFFFAOYSA-N
XLogP3.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-3-oxododecanoate
CID 86063741
methyl 2-acetyl-3-oxooctanoate
CID 10976817
dimethyl 2-dodecanoylbutanedioate
CID 154261053
methyl (2S)-2,6-diamino-7-oxoicosanoate
CID 163979090
dimethyl (2R)-2-tetradecanoylbutanedioate
CID 125469743
methyl 2-(hexadecanoylamino)-3-oxohexadecanoate
CID 102380444
methyl 2-fluorododecanoate
CID 86171800
methyl (2R)-2-fluorodecanoate
CID 11333185
trimethyl 2-hydroxy-4-oxohenicosane-1,2,3-tricarboxylate
CID 141498969
1,1-dimethoxyoctadecan-2-one
CID 54059971
2-methoxy-3-oxoundecanamide
CID 91551788
2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione
CID 58952836

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-oxododecanoate?
The IUPAC name of methyl 2-fluoro-3-oxododecanoate (CID 141197568) is methyl 2-fluoro-3-oxododecanoate.
What is the SMILES notation for methyl 2-fluoro-3-oxododecanoate?
The canonical SMILES for methyl 2-fluoro-3-oxododecanoate is CCCCCCCCCC(=O)C(F)C(=O)OC.
What is the InChIKey of methyl 2-fluoro-3-oxododecanoate?
The InChIKey is UHOMBFQLYHPXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO3/c1-3-4-5-6-7-8-9-10-11(15)12(14)13(16)17-2/h12H,3-10H2,1-2H3.
What are the key properties of methyl 2-fluoro-3-oxododecanoate?
methyl 2-fluoro-3-oxododecanoate has a molecular weight of 246.32 g/mol, XLogP of 3.21, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-oxododecanoate is sourced from PubChem (CID 141197568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).