3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine

C9H8ClF2NO — CID 155128119

IUPAC3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine
SMILESFc1cc(Cl)c(F)c(C2CCON2)c1
InChIInChI=1S/C9H8ClF2NO/c10-7-4-5(11)3-6(9(7)12)8-1-2-14-13-8/h3-4,8,13H,1-2H2
InChIKeyHFFDHINCUCZCKK-UHFFFAOYSA-N
MW219.62 g/mol
LogP2.58
Rot. Bonds1

About 3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine

3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine (PubChem CID 155128119) has the molecular formula C9H8ClF2NO and a molecular weight of 219.62 g/mol. Its IUPAC name is 3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine.

Molecular Properties

Compound Name3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine
PubChem CID155128119
Molecular FormulaC9H8ClF2NO
Molecular Weight219.62 g/mol
Exact Mass219.03
IUPAC Name3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine
SMILESFc1cc(Cl)c(F)c(C2CCON2)c1
InChIInChI=1S/C9H8ClF2NO/c10-7-4-5(11)3-6(9(7)12)8-1-2-14-13-8/h3-4,8,13H,1-2H2
InChIKeyHFFDHINCUCZCKK-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine?
The IUPAC name of 3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine (CID 155128119) is 3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine.
What is the SMILES notation for 3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine?
The canonical SMILES for 3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine is Fc1cc(Cl)c(F)c(C2CCON2)c1.
What is the InChIKey of 3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine?
The InChIKey is HFFDHINCUCZCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO/c10-7-4-5(11)3-6(9(7)12)8-1-2-14-13-8/h3-4,8,13H,1-2H2.
What are the key properties of 3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine?
3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine has a molecular weight of 219.62 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2,5-difluorophenyl)-1,2-oxazolidine is sourced from PubChem (CID 155128119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).