3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine

C8H9ClF3N3OS — CID 107306187

IUPAC3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
SMILESFC(F)(F)c1nsc(N2CCOCC2CCl)n1
InChIInChI=1S/C8H9ClF3N3OS/c9-3-5-4-16-2-1-15(5)7-13-6(14-17-7)8(10,11)12/h5H,1-4H2
InChIKeyUTUVFTIIFHARCC-UHFFFAOYSA-N
MW287.69 g/mol
LogP2.00
Rot. Bonds2

About 3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine

3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine (PubChem CID 107306187) has the molecular formula C8H9ClF3N3OS and a molecular weight of 287.69 g/mol. Its IUPAC name is 3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine.

Molecular Properties

Compound Name3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
PubChem CID107306187
Molecular FormulaC8H9ClF3N3OS
Molecular Weight287.69 g/mol
Exact Mass287.01
IUPAC Name3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
SMILESFC(F)(F)c1nsc(N2CCOCC2CCl)n1
InChIInChI=1S/C8H9ClF3N3OS/c9-3-5-4-16-2-1-15(5)7-13-6(14-17-7)8(10,11)12/h5H,1-4H2
InChIKeyUTUVFTIIFHARCC-UHFFFAOYSA-N
XLogP2.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.69
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine?
The IUPAC name of 3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine (CID 107306187) is 3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine.
What is the SMILES notation for 3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine?
The canonical SMILES for 3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine is FC(F)(F)c1nsc(N2CCOCC2CCl)n1.
What is the InChIKey of 3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine?
The InChIKey is UTUVFTIIFHARCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3OS/c9-3-5-4-16-2-1-15(5)7-13-6(14-17-7)8(10,11)12/h5H,1-4H2.
What are the key properties of 3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine?
3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine has a molecular weight of 287.69 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine is sourced from PubChem (CID 107306187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).