5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole

C6H5F4IN2OS — CID 103476980

IUPAC5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole
SMILESFC(F)C(F)(F)COCc1nsc(I)n1
InChIInChI=1S/C6H5F4IN2OS/c7-4(8)6(9,10)2-14-1-3-12-5(11)15-13-3/h4H,1-2H2
InChIKeyOSDKJKIUBKFXNB-UHFFFAOYSA-N
MW356.08 g/mol
LogP2.56
Rot. Bonds5

About 5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole

5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole (PubChem CID 103476980) has the molecular formula C6H5F4IN2OS and a molecular weight of 356.08 g/mol. Its IUPAC name is 5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole
PubChem CID103476980
Molecular FormulaC6H5F4IN2OS
Molecular Weight356.08 g/mol
Exact Mass355.91
IUPAC Name5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole
SMILESFC(F)C(F)(F)COCc1nsc(I)n1
InChIInChI=1S/C6H5F4IN2OS/c7-4(8)6(9,10)2-14-1-3-12-5(11)15-13-3/h4H,1-2H2
InChIKeyOSDKJKIUBKFXNB-UHFFFAOYSA-N
XLogP2.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.08
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-(2,2,2-Trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103473439
3-(2,2,3,3-Tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103473440
5-Chloro-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole
CID 103476976
5-Chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476977
5-Bromo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole
CID 103476978
5-Bromo-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476979
5-Iodo-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476981
3-(Ethoxymethyl)-5-iodo-1,2,4-thiadiazole
CID 102618489
5-Iodo-3-(methoxymethyl)-1,2,4-thiadiazole
CID 102618516
5-Iodo-3-(propoxymethyl)-1,2,4-thiadiazole
CID 102618616

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole (CID 103476980) is 5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole is FC(F)C(F)(F)COCc1nsc(I)n1.
What is the InChIKey of 5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole?
The InChIKey is OSDKJKIUBKFXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4IN2OS/c7-4(8)6(9,10)2-14-1-3-12-5(11)15-13-3/h4H,1-2H2.
What are the key properties of 5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole?
5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole has a molecular weight of 356.08 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 103476980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).