3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole

C7H7F3N2OS — CID 126954582

IUPAC3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole
SMILESFC(F)(F)COc1nc(C2CC2)ns1
InChIInChI=1S/C7H7F3N2OS/c8-7(9,10)3-13-6-11-5(12-14-6)4-1-2-4/h4H,1-3H2
InChIKeyKDDZXKMKVAAPOX-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.36
Rot. Bonds3

About 3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole

3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole (PubChem CID 126954582) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole
PubChem CID126954582
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole
SMILESFC(F)(F)COc1nc(C2CC2)ns1
InChIInChI=1S/C7H7F3N2OS/c8-7(9,10)3-13-6-11-5(12-14-6)4-1-2-4/h4H,1-3H2
InChIKeyKDDZXKMKVAAPOX-UHFFFAOYSA-N
XLogP2.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole
CID 144946124
5-Chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151207
5-Chloro-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151208
5-Iodo-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151211
3-[2-(2,2-Difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole
CID 103151212
3-Methyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole
CID 126954286
5-(2,2-Difluoroethoxy)-3-methyl-1,2,4-thiadiazole
CID 126954289
3-Cyclopropyl-5-[(4,4-difluorocyclohexyl)oxy]-1,2,4-thiadiazole
CID 126954584
5-Ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 58970602

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole (CID 126954582) is 3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole is FC(F)(F)COc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole?
The InChIKey is KDDZXKMKVAAPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c8-7(9,10)3-13-6-11-5(12-14-6)4-1-2-4/h4H,1-3H2.
What are the key properties of 3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole?
3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole has a molecular weight of 224.21 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 126954582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).