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

C8H9BrF3N3OS — CID 107306186

IUPAC3-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
SMILESFC(F)(F)c1nsc(N2CCOCC2CBr)n1
InChIInChI=1S/C8H9BrF3N3OS/c9-3-5-4-16-2-1-15(5)7-13-6(14-17-7)8(10,11)12/h5H,1-4H2
InChIKeyRXEJYMONCHWDDR-UHFFFAOYSA-N
MW332.15 g/mol
LogP2.16
Rot. Bonds2

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

3-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine (PubChem CID 107306186) has the molecular formula C8H9BrF3N3OS and a molecular weight of 332.15 g/mol. Its IUPAC name is 3-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine.

Molecular Properties

Compound Name3-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
PubChem CID107306186
Molecular FormulaC8H9BrF3N3OS
Molecular Weight332.15 g/mol
Exact Mass330.96
IUPAC Name3-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
SMILESFC(F)(F)c1nsc(N2CCOCC2CBr)n1
InChIInChI=1S/C8H9BrF3N3OS/c9-3-5-4-16-2-1-15(5)7-13-6(14-17-7)8(10,11)12/h5H,1-4H2
InChIKeyRXEJYMONCHWDDR-UHFFFAOYSA-N
XLogP2.16
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanol
CID 107305737
2-(Bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306144
2-(Bromomethyl)-5-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306147
N-(2-bromoethyl)-N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306162
3-(Chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306187
6-(Bromomethyl)-2,2-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306197
2-(Bromomethyl)-6-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 113944152
N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 114276341
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine
CID 125419912
3-(2,2-Difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 167752893
2-(Bromomethyl)-5-methyl-4-(3-propyl-1,2,4-thiadiazol-5-yl)morpholine
CID 81209751
2-(Bromomethyl)-5-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 81209859

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine?
The IUPAC name of 3-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine (CID 107306186) is 3-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine.
What is the SMILES notation for 3-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine?
The canonical SMILES for 3-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine is FC(F)(F)c1nsc(N2CCOCC2CBr)n1.
What is the InChIKey of 3-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine?
The InChIKey is RXEJYMONCHWDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3N3OS/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-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine?
3-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine has a molecular weight of 332.15 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine is sourced from PubChem (CID 107306186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).