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

C9H9ClFNO — CID 154648409

IUPAC3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine
SMILESFc1c(Cl)cccc1C1CCON1
InChIInChI=1S/C9H9ClFNO/c10-7-3-1-2-6(9(7)11)8-4-5-13-12-8/h1-3,8,12H,4-5H2
InChIKeyLKZHNNHXQRIGGG-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.45
Rot. Bonds1

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

3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine (PubChem CID 154648409) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine
PubChem CID154648409
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine
SMILESFc1c(Cl)cccc1C1CCON1
InChIInChI=1S/C9H9ClFNO/c10-7-3-1-2-6(9(7)11)8-4-5-13-12-8/h1-3,8,12H,4-5H2
InChIKeyLKZHNNHXQRIGGG-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine (CID 154648409) is 3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine is Fc1c(Cl)cccc1C1CCON1.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine?
The InChIKey is LKZHNNHXQRIGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-7-3-1-2-6(9(7)11)8-4-5-13-12-8/h1-3,8,12H,4-5H2.
What are the key properties of 3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine?
3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine has a molecular weight of 201.63 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-1,2-oxazolidine is sourced from PubChem (CID 154648409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).