ethyl 8-fluoro-8-methyl-5-oxononanoate

C12H21FO3 — CID 162409764

IUPACethyl 8-fluoro-8-methyl-5-oxononanoate
SMILESCCOC(=O)CCCC(=O)CCC(C)(C)F
InChIInChI=1S/C12H21FO3/c1-4-16-11(15)7-5-6-10(14)8-9-12(2,3)13/h4-9H2,1-3H3
InChIKeyOFDXWYFXCPQXPV-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.82
Rot. Bonds8

About ethyl 8-fluoro-8-methyl-5-oxononanoate

ethyl 8-fluoro-8-methyl-5-oxononanoate (PubChem CID 162409764) has the molecular formula C12H21FO3 and a molecular weight of 232.29 g/mol. Its IUPAC name is ethyl 8-fluoro-8-methyl-5-oxononanoate.

Molecular Properties

Compound Nameethyl 8-fluoro-8-methyl-5-oxononanoate
PubChem CID162409764
Molecular FormulaC12H21FO3
Molecular Weight232.29 g/mol
Exact Mass232.15
IUPAC Nameethyl 8-fluoro-8-methyl-5-oxononanoate
SMILESCCOC(=O)CCCC(=O)CCC(C)(C)F
InChIInChI=1S/C12H21FO3/c1-4-16-11(15)7-5-6-10(14)8-9-12(2,3)13/h4-9H2,1-3H3
InChIKeyOFDXWYFXCPQXPV-UHFFFAOYSA-N
XLogP2.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl hexanedioate
CID 160747628
ethyl 6,6-dimethyl-5-oxoheptanoate
CID 22973198
1-O-ethyl 5-O-(2,2,2-trichloroethyl) pentanedioate
CID 91708058
ethyl 4-oxo-7-(trifluoromethylsulfanyl)heptanoate
CID 116627027
diethyl icosanedioate
CID 5058538
diethyl 4,4-dimethylnonanedioate
CID 71397840
ethyl 8,8,8-trichlorooctanoate
CID 141267999
ethyl 5-methyl-5-propyloctanoate
CID 134441351
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
5-ethoxy-5-oxopentaneperoxoic acid
CID 15430781
diethyl 4,4,5,5,6,6,7,7-octafluorodecanedioate
CID 15093646
ethyl 5-amino-4,4-difluoro-5-oxopentanoate
CID 86647023

Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoro-8-methyl-5-oxononanoate?
The IUPAC name of ethyl 8-fluoro-8-methyl-5-oxononanoate (CID 162409764) is ethyl 8-fluoro-8-methyl-5-oxononanoate.
What is the SMILES notation for ethyl 8-fluoro-8-methyl-5-oxononanoate?
The canonical SMILES for ethyl 8-fluoro-8-methyl-5-oxononanoate is CCOC(=O)CCCC(=O)CCC(C)(C)F.
What is the InChIKey of ethyl 8-fluoro-8-methyl-5-oxononanoate?
The InChIKey is OFDXWYFXCPQXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO3/c1-4-16-11(15)7-5-6-10(14)8-9-12(2,3)13/h4-9H2,1-3H3.
What are the key properties of ethyl 8-fluoro-8-methyl-5-oxononanoate?
ethyl 8-fluoro-8-methyl-5-oxononanoate has a molecular weight of 232.29 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoro-8-methyl-5-oxononanoate is sourced from PubChem (CID 162409764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).