methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate

C11H12FNO3 — CID 169422824

IUPACmethyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(c2ccccc2F)N1
InChIInChI=1S/C11H12FNO3/c1-15-11(14)9-6-16-10(13-9)7-4-2-3-5-8(7)12/h2-5,9-10,13H,6H2,1H3
InChIKeyWYVYUONQQHHTJL-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.99
Rot. Bonds2

About methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate

methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 169422824) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate
PubChem CID169422824
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Namemethyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(c2ccccc2F)N1
InChIInChI=1S/C11H12FNO3/c1-15-11(14)9-6-16-10(13-9)7-4-2-3-5-8(7)12/h2-5,9-10,13H,6H2,1H3
InChIKeyWYVYUONQQHHTJL-UHFFFAOYSA-N
XLogP0.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate (CID 169422824) is methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate is COC(=O)C1COC(c2ccccc2F)N1.
What is the InChIKey of methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is WYVYUONQQHHTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-15-11(14)9-6-16-10(13-9)7-4-2-3-5-8(7)12/h2-5,9-10,13H,6H2,1H3.
What are the key properties of methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate?
methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 225.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 169422824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).