3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one

C7H10FNO3 — CID 123819109

IUPAC3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC(F)C(=O)N1C(=O)OCC1C
InChIInChI=1S/C7H10FNO3/c1-4-3-12-7(11)9(4)6(10)5(2)8/h4-5H,3H2,1-2H3
InChIKeyQYTWFCHKADCFLT-UHFFFAOYSA-N
MW175.16 g/mol
LogP0.71
Rot. Bonds1

About 3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one

3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 123819109) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is 3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID123819109
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC(F)C(=O)N1C(=O)OCC1C
InChIInChI=1S/C7H10FNO3/c1-4-3-12-7(11)9(4)6(10)5(2)8/h4-5H,3H2,1-2H3
InChIKeyQYTWFCHKADCFLT-UHFFFAOYSA-N
XLogP0.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 77106963
3-but-2-enoyl-4-methyl-1,3-oxazolidin-2-one
CID 59890147
(4S)-3-[(Z,2S)-2,5-dimethyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one
CID 59077229
(4S)-3-[(Z,2S)-2-hydroxy-5-methyl-6-phosphanyloxyhex-4-enoyl]-4-methyl-1,3-oxazolidin-2-one
CID 59077232
(4S)-3-(2,2-dichloroacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 44889097
(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 25239998
(4S)-3-(2-fluoroprop-2-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 45080957
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669339
(4S)-3-(2-chloropropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669354
2-hydroxy-2,3-dimethyl-4-oxo-4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)butanenitrile
CID 5242505

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one (CID 123819109) is 3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one is CC(F)C(=O)N1C(=O)OCC1C.
What is the InChIKey of 3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is QYTWFCHKADCFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO3/c1-4-3-12-7(11)9(4)6(10)5(2)8/h4-5H,3H2,1-2H3.
What are the key properties of 3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one?
3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 175.16 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropanoyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123819109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).