3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one

C8H12FNO3 — CID 102326068

IUPAC3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one
SMILESCC(CF)CC(=O)N1CCOC1=O
InChIInChI=1S/C8H12FNO3/c1-6(5-9)4-7(11)10-2-3-13-8(10)12/h6H,2-5H2,1H3
InChIKeyICDMYNKNIDOOJL-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.96
Rot. Bonds3

About 3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one

3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one (PubChem CID 102326068) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one
PubChem CID102326068
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one
SMILESCC(CF)CC(=O)N1CCOC1=O
InChIInChI=1S/C8H12FNO3/c1-6(5-9)4-7(11)10-2-3-13-8(10)12/h6H,2-5H2,1H3
InChIKeyICDMYNKNIDOOJL-UHFFFAOYSA-N
XLogP0.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methylpentanoyl)-1,3-oxazolidin-2-one
CID 24790368
4-Isopropyl-3-propionyl-2-oxazolidinone
CID 190974
(4S)-4-(1-Methylethyl)-3-(5,5,5-trifluoro-1-oxopentyl)-2-oxazolidinone
CID 68315009
(4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 643512
(S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone
CID 853160
3-(2,2-Dimethylpropanoyl)-1,3-oxazolidin-2-one
CID 9989671
(4S)-3-[(2S)-2-fluorohexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135055249
(4S)-3-[(2S)-2-fluoro-3,3-dimethylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135056187
2-Methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanenitrile
CID 134967565
(4S)-3-Butanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 10330387
(S)-4-Isopropyl-3-(3-methylbutanoyl)oxazolidin-2-one
CID 10856824
(4S)-3-(3,3-dimethylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10878892

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one (CID 102326068) is 3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one is CC(CF)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is ICDMYNKNIDOOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3/c1-6(5-9)4-7(11)10-2-3-13-8(10)12/h6H,2-5H2,1H3.
What are the key properties of 3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one?
3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 189.19 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylbutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102326068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).