(3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine

C9H9ClFNO — CID 155128113

IUPAC(3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine
SMILESFc1cc(Cl)cc([C@H]2CCON2)c1
InChIInChI=1S/C9H9ClFNO/c10-7-3-6(4-8(11)5-7)9-1-2-13-12-9/h3-5,9,12H,1-2H2/t9-/m1/s1
InChIKeyLYUKOXZGVVRESV-SECBINFHSA-N
MW201.63 g/mol
LogP2.45
Rot. Bonds1

About (3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine

(3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine (PubChem CID 155128113) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is (3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine
PubChem CID155128113
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name(3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine
SMILESFc1cc(Cl)cc([C@H]2CCON2)c1
InChIInChI=1S/C9H9ClFNO/c10-7-3-6(4-8(11)5-7)9-1-2-13-12-9/h3-5,9,12H,1-2H2/t9-/m1/s1
InChIKeyLYUKOXZGVVRESV-SECBINFHSA-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 (3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine?
The IUPAC name of (3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine (CID 155128113) is (3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine.
What is the SMILES notation for (3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine?
The canonical SMILES for (3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine is Fc1cc(Cl)cc([C@H]2CCON2)c1.
What is the InChIKey of (3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine?
The InChIKey is LYUKOXZGVVRESV-SECBINFHSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-7-3-6(4-8(11)5-7)9-1-2-13-12-9/h3-5,9,12H,1-2H2/t9-/m1/s1.
What are the key properties of (3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine?
(3R)-3-(3-chloro-5-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 (3R)-3-(3-chloro-5-fluorophenyl)-1,2-oxazolidine is sourced from PubChem (CID 155128113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).