2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine

C14H17BrF3NO — CID 102936816

IUPAC2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCC1CN(Cc2ccc(C(F)(F)F)cc2)CC(CBr)O1
InChIInChI=1S/C14H17BrF3NO/c1-10-7-19(9-13(6-15)20-10)8-11-2-4-12(5-3-11)14(16,17)18/h2-5,10,13H,6-9H2,1H3
InChIKeySORMJXNPTYOEJB-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.69
Rot. Bonds3

About 2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine

2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 102936816) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID102936816
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC Name2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCC1CN(Cc2ccc(C(F)(F)F)cc2)CC(CBr)O1
InChIInChI=1S/C14H17BrF3NO/c1-10-7-19(9-13(6-15)20-10)8-11-2-4-12(5-3-11)14(16,17)18/h2-5,10,13H,6-9H2,1H3
InChIKeySORMJXNPTYOEJB-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine (CID 102936816) is 2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine is CC1CN(Cc2ccc(C(F)(F)F)cc2)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is SORMJXNPTYOEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c1-10-7-19(9-13(6-15)20-10)8-11-2-4-12(5-3-11)14(16,17)18/h2-5,10,13H,6-9H2,1H3.
What are the key properties of 2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 352.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 102936816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).