2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine

C8H15ClFNO — CID 81211131

IUPAC2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine
SMILESCC1COC(CCl)CN1CCF
InChIInChI=1S/C8H15ClFNO/c1-7-6-12-8(4-9)5-11(7)3-2-10/h7-8H,2-6H2,1H3
InChIKeyUADXVTXEWHCQOU-UHFFFAOYSA-N
MW195.66 g/mol
LogP1.28
Rot. Bonds3

About 2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine

2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine (PubChem CID 81211131) has the molecular formula C8H15ClFNO and a molecular weight of 195.66 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine
PubChem CID81211131
Molecular FormulaC8H15ClFNO
Molecular Weight195.66 g/mol
Exact Mass195.08
IUPAC Name2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine
SMILESCC1COC(CCl)CN1CCF
InChIInChI=1S/C8H15ClFNO/c1-7-6-12-8(4-9)5-11(7)3-2-10/h7-8H,2-6H2,1H3
InChIKeyUADXVTXEWHCQOU-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.66
LogP ≤ 51.28
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-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine (CID 81211131) is 2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine is CC1COC(CCl)CN1CCF.
What is the InChIKey of 2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine?
The InChIKey is UADXVTXEWHCQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClFNO/c1-7-6-12-8(4-9)5-11(7)3-2-10/h7-8H,2-6H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine?
2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine has a molecular weight of 195.66 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2-fluoroethyl)-5-methylmorpholine is sourced from PubChem (CID 81211131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).