2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine

C11H19ClF3NO2 — CID 81209609

IUPAC2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine
SMILESCC1COC(CCl)CN1CCCOCC(F)(F)F
InChIInChI=1S/C11H19ClF3NO2/c1-9-7-18-10(5-12)6-16(9)3-2-4-17-8-11(13,14)15/h9-10H,2-8H2,1H3
InChIKeyKINMWNAQBKFLOU-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.28
Rot. Bonds6

About 2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine

2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine (PubChem CID 81209609) has the molecular formula C11H19ClF3NO2 and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine
PubChem CID81209609
Molecular FormulaC11H19ClF3NO2
Molecular Weight289.73 g/mol
Exact Mass289.11
IUPAC Name2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine
SMILESCC1COC(CCl)CN1CCCOCC(F)(F)F
InChIInChI=1S/C11H19ClF3NO2/c1-9-7-18-10(5-12)6-16(9)3-2-4-17-8-11(13,14)15/h9-10H,2-8H2,1H3
InChIKeyKINMWNAQBKFLOU-UHFFFAOYSA-N
XLogP2.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.28
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-[3-(2,2,2-trifluoroethoxy)propyl]morpholine?
The IUPAC name of 2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine (CID 81209609) is 2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine is CC1COC(CCl)CN1CCCOCC(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine?
The InChIKey is KINMWNAQBKFLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO2/c1-9-7-18-10(5-12)6-16(9)3-2-4-17-8-11(13,14)15/h9-10H,2-8H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine?
2-(chloromethyl)-5-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine has a molecular weight of 289.73 g/mol, XLogP of 2.28, 6 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-[3-(2,2,2-trifluoroethoxy)propyl]morpholine is sourced from PubChem (CID 81209609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).