(3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine

C9H9ClFNO — CID 154698059

IUPAC(3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine
SMILESFc1ccc([C@@H]2CCON2)cc1Cl
InChIInChI=1S/C9H9ClFNO/c10-7-5-6(1-2-8(7)11)9-3-4-13-12-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1
InChIKeyOXOBKFJHLJASKY-VIFPVBQESA-N
MW201.63 g/mol
LogP2.45
Rot. Bonds1

About (3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine

(3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine (PubChem CID 154698059) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is (3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine
PubChem CID154698059
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name(3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine
SMILESFc1ccc([C@@H]2CCON2)cc1Cl
InChIInChI=1S/C9H9ClFNO/c10-7-5-6(1-2-8(7)11)9-3-4-13-12-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1
InChIKeyOXOBKFJHLJASKY-VIFPVBQESA-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 (3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine?
The IUPAC name of (3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine (CID 154698059) is (3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine.
What is the SMILES notation for (3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine?
The canonical SMILES for (3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine is Fc1ccc([C@@H]2CCON2)cc1Cl.
What is the InChIKey of (3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine?
The InChIKey is OXOBKFJHLJASKY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-7-5-6(1-2-8(7)11)9-3-4-13-12-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1.
What are the key properties of (3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine?
(3S)-3-(3-chloro-4-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 (3S)-3-(3-chloro-4-fluorophenyl)-1,2-oxazolidine is sourced from PubChem (CID 154698059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).