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

C8H13ClF3NO2 — CID 81211200

IUPAC2-(chloromethyl)-4-[2-(trifluoromethoxy)ethyl]morpholine
SMILESFC(F)(F)OCCN1CCOC(CCl)C1
InChIInChI=1S/C8H13ClF3NO2/c9-5-7-6-13(1-3-14-7)2-4-15-8(10,11)12/h7H,1-6H2
InChIKeyKBBMBQPIKFUGSR-UHFFFAOYSA-N
MW247.64 g/mol
LogP1.46
Rot. Bonds4

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

2-(chloromethyl)-4-[2-(trifluoromethoxy)ethyl]morpholine (PubChem CID 81211200) has the molecular formula C8H13ClF3NO2 and a molecular weight of 247.64 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[2-(trifluoromethoxy)ethyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[2-(trifluoromethoxy)ethyl]morpholine
PubChem CID81211200
Molecular FormulaC8H13ClF3NO2
Molecular Weight247.64 g/mol
Exact Mass247.06
IUPAC Name2-(chloromethyl)-4-[2-(trifluoromethoxy)ethyl]morpholine
SMILESFC(F)(F)OCCN1CCOC(CCl)C1
InChIInChI=1S/C8H13ClF3NO2/c9-5-7-6-13(1-3-14-7)2-4-15-8(10,11)12/h7H,1-6H2
InChIKeyKBBMBQPIKFUGSR-UHFFFAOYSA-N
XLogP1.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 51.46
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)-4-[2-(trifluoromethoxy)ethyl]morpholine?
The IUPAC name of 2-(chloromethyl)-4-[2-(trifluoromethoxy)ethyl]morpholine (CID 81211200) is 2-(chloromethyl)-4-[2-(trifluoromethoxy)ethyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-[2-(trifluoromethoxy)ethyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-4-[2-(trifluoromethoxy)ethyl]morpholine is FC(F)(F)OCCN1CCOC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-[2-(trifluoromethoxy)ethyl]morpholine?
The InChIKey is KBBMBQPIKFUGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3NO2/c9-5-7-6-13(1-3-14-7)2-4-15-8(10,11)12/h7H,1-6H2.
What are the key properties of 2-(chloromethyl)-4-[2-(trifluoromethoxy)ethyl]morpholine?
2-(chloromethyl)-4-[2-(trifluoromethoxy)ethyl]morpholine has a molecular weight of 247.64 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[2-(trifluoromethoxy)ethyl]morpholine is sourced from PubChem (CID 81211200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).