2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine

C10H12FNO — CID 163364134

IUPAC2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(C2NCCO2)c(F)c1
InChIInChI=1S/C10H12FNO/c1-7-2-3-8(9(11)6-7)10-12-4-5-13-10/h2-3,6,10,12H,4-5H2,1H3
InChIKeyXMBHVSNIPZTDER-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.75
Rot. Bonds1

About 2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine

2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine (PubChem CID 163364134) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine
PubChem CID163364134
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(C2NCCO2)c(F)c1
InChIInChI=1S/C10H12FNO/c1-7-2-3-8(9(11)6-7)10-12-4-5-13-10/h2-3,6,10,12H,4-5H2,1H3
InChIKeyXMBHVSNIPZTDER-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine (CID 163364134) is 2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine is Cc1ccc(C2NCCO2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine?
The InChIKey is XMBHVSNIPZTDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7-2-3-8(9(11)6-7)10-12-4-5-13-10/h2-3,6,10,12H,4-5H2,1H3.
What are the key properties of 2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine?
2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine has a molecular weight of 181.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 163364134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).