3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole

C6H7F2IN2OS — CID 103151212

IUPAC3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole
SMILESFC(F)COCCc1nsc(I)n1
InChIInChI=1S/C6H7F2IN2OS/c7-4(8)3-12-2-1-5-10-6(9)13-11-5/h4H,1-3H2
InChIKeyHWGGPFNBGPCBGV-UHFFFAOYSA-N
MW320.10 g/mol
LogP1.97
Rot. Bonds5

About 3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole

3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole (PubChem CID 103151212) has the molecular formula C6H7F2IN2OS and a molecular weight of 320.10 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole
PubChem CID103151212
Molecular FormulaC6H7F2IN2OS
Molecular Weight320.10 g/mol
Exact Mass319.93
IUPAC Name3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole
SMILESFC(F)COCCc1nsc(I)n1
InChIInChI=1S/C6H7F2IN2OS/c7-4(8)3-12-2-1-5-10-6(9)13-11-5/h4H,1-3H2
InChIKeyHWGGPFNBGPCBGV-UHFFFAOYSA-N
XLogP1.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.10
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
CID 102618331
5-Iodo-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole
CID 102618608
3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103146580
3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103146581
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-Bromo-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151209
5-Bromo-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151210
5-Iodo-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazole
CID 103151211
5-Iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole
CID 103476980
5-Iodo-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476981
3-Methyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole
CID 126954286

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole?
The IUPAC name of 3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole (CID 103151212) is 3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole?
The canonical SMILES for 3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole is FC(F)COCCc1nsc(I)n1.
What is the InChIKey of 3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole?
The InChIKey is HWGGPFNBGPCBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2IN2OS/c7-4(8)3-12-2-1-5-10-6(9)13-11-5/h4H,1-3H2.
What are the key properties of 3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole?
3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole has a molecular weight of 320.10 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 103151212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).