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

C10H17ClF3NO2 — CID 81209819

IUPAC2-(chloromethyl)-5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine
SMILESCC1COC(CCl)CN1CCOCC(F)(F)F
InChIInChI=1S/C10H17ClF3NO2/c1-8-6-17-9(4-11)5-15(8)2-3-16-7-10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyIXOGMGPXDWEWTN-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.89
Rot. Bonds5

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

2-(chloromethyl)-5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine (PubChem CID 81209819) has the molecular formula C10H17ClF3NO2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine
PubChem CID81209819
Molecular FormulaC10H17ClF3NO2
Molecular Weight275.70 g/mol
Exact Mass275.09
IUPAC Name2-(chloromethyl)-5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine
SMILESCC1COC(CCl)CN1CCOCC(F)(F)F
InChIInChI=1S/C10H17ClF3NO2/c1-8-6-17-9(4-11)5-15(8)2-3-16-7-10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyIXOGMGPXDWEWTN-UHFFFAOYSA-N
XLogP1.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2,2,2-trifluoroethoxy)ethyl]morpholine?
The IUPAC name of 2-(chloromethyl)-5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine (CID 81209819) is 2-(chloromethyl)-5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine is CC1COC(CCl)CN1CCOCC(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine?
The InChIKey is IXOGMGPXDWEWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO2/c1-8-6-17-9(4-11)5-15(8)2-3-16-7-10(12,13)14/h8-9H,2-7H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine?
2-(chloromethyl)-5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine has a molecular weight of 275.70 g/mol, XLogP of 1.89, 5 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-(2,2,2-trifluoroethoxy)ethyl]morpholine is sourced from PubChem (CID 81209819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).