2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine

C9H15ClF3NO2 — CID 81210185

IUPAC2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine
SMILESCC1COC(CCl)CN1CCOC(F)(F)F
InChIInChI=1S/C9H15ClF3NO2/c1-7-6-15-8(4-10)5-14(7)2-3-16-9(11,12)13/h7-8H,2-6H2,1H3
InChIKeyBZHRYLUFLCXPGO-UHFFFAOYSA-N
MW261.67 g/mol
LogP1.85
Rot. Bonds4

About 2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine

2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine (PubChem CID 81210185) has the molecular formula C9H15ClF3NO2 and a molecular weight of 261.67 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine
PubChem CID81210185
Molecular FormulaC9H15ClF3NO2
Molecular Weight261.67 g/mol
Exact Mass261.07
IUPAC Name2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine
SMILESCC1COC(CCl)CN1CCOC(F)(F)F
InChIInChI=1S/C9H15ClF3NO2/c1-7-6-15-8(4-10)5-14(7)2-3-16-9(11,12)13/h7-8H,2-6H2,1H3
InChIKeyBZHRYLUFLCXPGO-UHFFFAOYSA-N
XLogP1.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine?
The IUPAC name of 2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine (CID 81210185) is 2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine is CC1COC(CCl)CN1CCOC(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine?
The InChIKey is BZHRYLUFLCXPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO2/c1-7-6-15-8(4-10)5-14(7)2-3-16-9(11,12)13/h7-8H,2-6H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine?
2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine has a molecular weight of 261.67 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-4-[2-(trifluoromethoxy)ethyl]morpholine is sourced from PubChem (CID 81210185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).