3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one

C12H12FNO3 — CID 72723302

IUPAC3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CC(F)c1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H12FNO3/c13-10(9-4-2-1-3-5-9)8-11(15)14-6-7-17-12(14)16/h1-5,10H,6-8H2
InChIKeyHKGPAXBGNFUIQX-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.07
Rot. Bonds3

About 3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one

3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 72723302) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID72723302
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CC(F)c1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H12FNO3/c13-10(9-4-2-1-3-5-9)8-11(15)14-6-7-17-12(14)16/h1-5,10H,6-8H2
InChIKeyHKGPAXBGNFUIQX-UHFFFAOYSA-N
XLogP2.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[6-(3-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141223
2-(4-Fluorophenyl)-1-(morpholin-4-yl)ethan-1-one
CID 798469
1-(Morpholin-4-yl)-4-phenylbutan-1-one
CID 288839
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one (CID 72723302) is 3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one is O=C(CC(F)c1ccccc1)N1CCOC1=O.
What is the InChIKey of 3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is HKGPAXBGNFUIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-10(9-4-2-1-3-5-9)8-11(15)14-6-7-17-12(14)16/h1-5,10H,6-8H2.
What are the key properties of 3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one?
3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 237.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-3-phenylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 72723302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).