2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine

C8H15BrFNO — CID 102936761

IUPAC2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine
SMILESCC1CN(CCF)CC(CBr)O1
InChIInChI=1S/C8H15BrFNO/c1-7-5-11(3-2-10)6-8(4-9)12-7/h7-8H,2-6H2,1H3
InChIKeyYOKRSUYGFUBSAL-UHFFFAOYSA-N
MW240.12 g/mol
LogP1.44
Rot. Bonds3

About 2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine

2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine (PubChem CID 102936761) has the molecular formula C8H15BrFNO and a molecular weight of 240.12 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine
PubChem CID102936761
Molecular FormulaC8H15BrFNO
Molecular Weight240.12 g/mol
Exact Mass239.03
IUPAC Name2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine
SMILESCC1CN(CCF)CC(CBr)O1
InChIInChI=1S/C8H15BrFNO/c1-7-5-11(3-2-10)6-8(4-9)12-7/h7-8H,2-6H2,1H3
InChIKeyYOKRSUYGFUBSAL-UHFFFAOYSA-N
XLogP1.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Bromoethyl)-2,6-dimethylmorpholine hydrobromide
CID 121553218
2-(Bromomethyl)-4-methylmorpholine hydrobromide
CID 132371414
4-(3-Bromopropyl)morpholine
CID 13034048
2-(Bromomethyl)-4-methylmorpholine
CID 70291410
4-(2-Fluoroethyl)-2-methylmorpholine
CID 88589111
(2R)-2-(fluoromethyl)-4-methylmorpholine
CID 89634547
4-Ethyl-2-(fluoromethyl)morpholine
CID 90180659
(2S)-2-(fluoromethyl)-4-methylmorpholine
CID 125455028
2-(Fluoromethyl)-4-methylmorpholine
CID 137702754
2-Fluoro-4,6-dimethylmorpholine
CID 142133693
(2S,6R)-2-fluoro-4,6-dimethylmorpholine
CID 170227043
(2R,6R)-2-fluoro-4,6-dimethylmorpholine
CID 170227048

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine (CID 102936761) is 2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine is CC1CN(CCF)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine?
The InChIKey is YOKRSUYGFUBSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrFNO/c1-7-5-11(3-2-10)6-8(4-9)12-7/h7-8H,2-6H2,1H3.
What are the key properties of 2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine?
2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine has a molecular weight of 240.12 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine is sourced from PubChem (CID 102936761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).