6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine

C14H18BrClFNO — CID 102620256

IUPAC6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2cc(F)ccc2Cl)CC(CBr)O1
InChIInChI=1S/C14H18BrClFNO/c1-14(2)9-18(8-12(6-15)19-14)7-10-5-11(17)3-4-13(10)16/h3-5,12H,6-9H2,1-2H3
InChIKeyWDIULRTXXMWWIS-UHFFFAOYSA-N
MW350.66 g/mol
LogP3.85
Rot. Bonds3

About 6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine

6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine (PubChem CID 102620256) has the molecular formula C14H18BrClFNO and a molecular weight of 350.66 g/mol. Its IUPAC name is 6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine
PubChem CID102620256
Molecular FormulaC14H18BrClFNO
Molecular Weight350.66 g/mol
Exact Mass349.02
IUPAC Name6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2cc(F)ccc2Cl)CC(CBr)O1
InChIInChI=1S/C14H18BrClFNO/c1-14(2)9-18(8-12(6-15)19-14)7-10-5-11(17)3-4-13(10)16/h3-5,12H,6-9H2,1-2H3
InChIKeyWDIULRTXXMWWIS-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.66
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine 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 6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine (CID 102620256) is 6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine is CC1(C)CN(Cc2cc(F)ccc2Cl)CC(CBr)O1.
What is the InChIKey of 6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine?
The InChIKey is WDIULRTXXMWWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFNO/c1-14(2)9-18(8-12(6-15)19-14)7-10-5-11(17)3-4-13(10)16/h3-5,12H,6-9H2,1-2H3.
What are the key properties of 6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine?
6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine has a molecular weight of 350.66 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 102620256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).