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

C10H12FNO — CID 123320392

IUPAC3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine
SMILESCC1(c2ccccc2F)CCON1
InChIInChI=1S/C10H12FNO/c1-10(6-7-13-12-10)8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3
InChIKeyYJLKWQGGOXDXEB-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.97
Rot. Bonds1

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

3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine (PubChem CID 123320392) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine
PubChem CID123320392
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine
SMILESCC1(c2ccccc2F)CCON1
InChIInChI=1S/C10H12FNO/c1-10(6-7-13-12-10)8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3
InChIKeyYJLKWQGGOXDXEB-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine?
The IUPAC name of 3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine (CID 123320392) is 3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine.
What is the SMILES notation for 3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine?
The canonical SMILES for 3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine is CC1(c2ccccc2F)CCON1.
What is the InChIKey of 3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine?
The InChIKey is YJLKWQGGOXDXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-10(6-7-13-12-10)8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine?
3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine has a molecular weight of 181.21 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine is sourced from PubChem (CID 123320392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).