methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate

C8H12FNO5 — CID 174446791

IUPACmethyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C(F)N1COCC1C(=O)OC
InChIInChI=1S/C8H12FNO5/c1-13-7(11)5-3-15-4-10(5)6(9)8(12)14-2/h5-6H,3-4H2,1-2H3
InChIKeyGOOZGVCWAVZSPH-UHFFFAOYSA-N
MW221.18 g/mol
LogP-0.71
Rot. Bonds3

About methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate

methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 174446791) has the molecular formula C8H12FNO5 and a molecular weight of 221.18 g/mol. Its IUPAC name is methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate
PubChem CID174446791
Molecular FormulaC8H12FNO5
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Namemethyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C(F)N1COCC1C(=O)OC
InChIInChI=1S/C8H12FNO5/c1-13-7(11)5-3-15-4-10(5)6(9)8(12)14-2/h5-6H,3-4H2,1-2H3
InChIKeyGOOZGVCWAVZSPH-UHFFFAOYSA-N
XLogP-0.71
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate (CID 174446791) is methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate is COC(=O)C(F)N1COCC1C(=O)OC.
What is the InChIKey of methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is GOOZGVCWAVZSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO5/c1-13-7(11)5-3-15-4-10(5)6(9)8(12)14-2/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate?
methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 221.18 g/mol, XLogP of -0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 174446791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).