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

C8H9ClF3N3OS — CID 114450338

IUPAC2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine
SMILESFC(F)(F)c1nnc(N2CCOC(CCl)C2)s1
InChIInChI=1S/C8H9ClF3N3OS/c9-3-5-4-15(1-2-16-5)7-14-13-6(17-7)8(10,11)12/h5H,1-4H2
InChIKeyUSILADGBRPRZET-UHFFFAOYSA-N
MW287.69 g/mol
LogP2.00
Rot. Bonds2

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

2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine (PubChem CID 114450338) has the molecular formula C8H9ClF3N3OS and a molecular weight of 287.69 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine
PubChem CID114450338
Molecular FormulaC8H9ClF3N3OS
Molecular Weight287.69 g/mol
Exact Mass287.01
IUPAC Name2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine
SMILESFC(F)(F)c1nnc(N2CCOC(CCl)C2)s1
InChIInChI=1S/C8H9ClF3N3OS/c9-3-5-4-15(1-2-16-5)7-14-13-6(17-7)8(10,11)12/h5H,1-4H2
InChIKeyUSILADGBRPRZET-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 2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine?
The IUPAC name of 2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine (CID 114450338) is 2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine?
The canonical SMILES for 2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine is FC(F)(F)c1nnc(N2CCOC(CCl)C2)s1.
What is the InChIKey of 2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine?
The InChIKey is USILADGBRPRZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3OS/c9-3-5-4-15(1-2-16-5)7-14-13-6(17-7)8(10,11)12/h5H,1-4H2.
What are the key properties of 2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine?
2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-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 2-(chloromethyl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine is sourced from PubChem (CID 114450338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).