4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine

C13H17BrFNO — CID 170064887

IUPAC4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine
SMILESCc1cc(Br)cc(F)c1N1CC(C)OC(C)C1
InChIInChI=1S/C13H17BrFNO/c1-8-4-11(14)5-12(15)13(8)16-6-9(2)17-10(3)7-16/h4-5,9-10H,6-7H2,1-3H3
InChIKeyKFRKSDMVPGNEGR-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.51
Rot. Bonds1

About 4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine

4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine (PubChem CID 170064887) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine
PubChem CID170064887
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine
SMILESCc1cc(Br)cc(F)c1N1CC(C)OC(C)C1
InChIInChI=1S/C13H17BrFNO/c1-8-4-11(14)5-12(15)13(8)16-6-9(2)17-10(3)7-16/h4-5,9-10H,6-7H2,1-3H3
InChIKeyKFRKSDMVPGNEGR-UHFFFAOYSA-N
XLogP3.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine (CID 170064887) is 4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine is Cc1cc(Br)cc(F)c1N1CC(C)OC(C)C1.
What is the InChIKey of 4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine?
The InChIKey is KFRKSDMVPGNEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-8-4-11(14)5-12(15)13(8)16-6-9(2)17-10(3)7-16/h4-5,9-10H,6-7H2,1-3H3.
What are the key properties of 4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine?
4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine has a molecular weight of 302.19 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluoro-6-methylphenyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 170064887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).