2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine

C13H15ClF3NO — CID 81210098

IUPAC2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC1COC(CCl)CN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15ClF3NO/c1-9-8-19-12(6-14)7-18(9)11-4-2-10(3-5-11)13(15,16)17/h2-5,9,12H,6-8H2,1H3
InChIKeyBCODUWDKALERPG-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.54
Rot. Bonds2

About 2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine

2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 81210098) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID81210098
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC1COC(CCl)CN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15ClF3NO/c1-9-8-19-12(6-14)7-18(9)11-4-2-10(3-5-11)13(15,16)17/h2-5,9,12H,6-8H2,1H3
InChIKeyBCODUWDKALERPG-UHFFFAOYSA-N
XLogP3.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine (CID 81210098) is 2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine is CC1COC(CCl)CN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is BCODUWDKALERPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-9-8-19-12(6-14)7-18(9)11-4-2-10(3-5-11)13(15,16)17/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine?
2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 293.72 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-4-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 81210098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).