6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine

C12H21ClF3NO2 — CID 114780461

IUPAC6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine
SMILESCC1(C)CN(CCCOCC(F)(F)F)CC(CCl)O1
InChIInChI=1S/C12H21ClF3NO2/c1-11(2)8-17(7-10(6-13)19-11)4-3-5-18-9-12(14,15)16/h10H,3-9H2,1-2H3
InChIKeyICAYZKBKKKBBGN-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.67
Rot. Bonds6

About 6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine

6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine (PubChem CID 114780461) has the molecular formula C12H21ClF3NO2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine.

Molecular Properties

Compound Name6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine
PubChem CID114780461
Molecular FormulaC12H21ClF3NO2
Molecular Weight303.75 g/mol
Exact Mass303.12
IUPAC Name6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine
SMILESCC1(C)CN(CCCOCC(F)(F)F)CC(CCl)O1
InChIInChI=1S/C12H21ClF3NO2/c1-11(2)8-17(7-10(6-13)19-11)4-3-5-18-9-12(14,15)16/h10H,3-9H2,1-2H3
InChIKeyICAYZKBKKKBBGN-UHFFFAOYSA-N
XLogP2.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.67
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 6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine?
The IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine (CID 114780461) is 6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine.
What is the SMILES notation for 6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine?
The canonical SMILES for 6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine is CC1(C)CN(CCCOCC(F)(F)F)CC(CCl)O1.
What is the InChIKey of 6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine?
The InChIKey is ICAYZKBKKKBBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClF3NO2/c1-11(2)8-17(7-10(6-13)19-11)4-3-5-18-9-12(14,15)16/h10H,3-9H2,1-2H3.
What are the key properties of 6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine?
6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine has a molecular weight of 303.75 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,2-dimethyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine is sourced from PubChem (CID 114780461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).