2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine

C11H13BrFNO — CID 23437097

IUPAC2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine
SMILESCC1(C)COC(c2ccc(Br)cc2F)N1
InChIInChI=1S/C11H13BrFNO/c1-11(2)6-15-10(14-11)8-4-3-7(12)5-9(8)13/h3-5,10,14H,6H2,1-2H3
InChIKeyFCNDNAMZECDOPF-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.99
Rot. Bonds1

About 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine

2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine (PubChem CID 23437097) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine
PubChem CID23437097
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine
SMILESCC1(C)COC(c2ccc(Br)cc2F)N1
InChIInChI=1S/C11H13BrFNO/c1-11(2)6-15-10(14-11)8-4-3-7(12)5-9(8)13/h3-5,10,14H,6H2,1-2H3
InChIKeyFCNDNAMZECDOPF-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine (CID 23437097) is 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine is CC1(C)COC(c2ccc(Br)cc2F)N1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine?
The InChIKey is FCNDNAMZECDOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-11(2)6-15-10(14-11)8-4-3-7(12)5-9(8)13/h3-5,10,14H,6H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine?
2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine has a molecular weight of 274.13 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-4,4-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 23437097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).