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

C9H15ClF3NO2 — CID 81214132

IUPAC2-(chloromethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine
SMILESFC(F)(F)COCCN1CCOC(CCl)C1
InChIInChI=1S/C9H15ClF3NO2/c10-5-8-6-14(2-4-16-8)1-3-15-7-9(11,12)13/h8H,1-7H2
InChIKeyWYVOASZOOZJOSB-UHFFFAOYSA-N
MW261.67 g/mol
LogP1.50
Rot. Bonds5

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

2-(chloromethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine (PubChem CID 81214132) has the molecular formula C9H15ClF3NO2 and a molecular weight of 261.67 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine
PubChem CID81214132
Molecular FormulaC9H15ClF3NO2
Molecular Weight261.67 g/mol
Exact Mass261.07
IUPAC Name2-(chloromethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine
SMILESFC(F)(F)COCCN1CCOC(CCl)C1
InChIInChI=1S/C9H15ClF3NO2/c10-5-8-6-14(2-4-16-8)1-3-15-7-9(11,12)13/h8H,1-7H2
InChIKeyWYVOASZOOZJOSB-UHFFFAOYSA-N
XLogP1.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 51.50
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)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine?
The IUPAC name of 2-(chloromethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine (CID 81214132) is 2-(chloromethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine is FC(F)(F)COCCN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine?
The InChIKey is WYVOASZOOZJOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO2/c10-5-8-6-14(2-4-16-8)1-3-15-7-9(11,12)13/h8H,1-7H2.
What are the key properties of 2-(chloromethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine?
2-(chloromethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine has a molecular weight of 261.67 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine is sourced from PubChem (CID 81214132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).