5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole

C9H4F3IN2OS — CID 107304592

IUPAC5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(Oc2cccc(I)c2)n1
InChIInChI=1S/C9H4F3IN2OS/c10-9(11,12)7-14-8(17-15-7)16-6-3-1-2-5(13)4-6/h1-4H
InChIKeyHZNZVRYCXBFASA-UHFFFAOYSA-N
MW372.11 g/mol
LogP3.95
Rot. Bonds2

About 5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole

5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107304592) has the molecular formula C9H4F3IN2OS and a molecular weight of 372.11 g/mol. Its IUPAC name is 5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107304592
Molecular FormulaC9H4F3IN2OS
Molecular Weight372.11 g/mol
Exact Mass371.90
IUPAC Name5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(Oc2cccc(I)c2)n1
InChIInChI=1S/C9H4F3IN2OS/c10-9(11,12)7-14-8(17-15-7)16-6-3-1-2-5(13)4-6/h1-4H
InChIKeyHZNZVRYCXBFASA-UHFFFAOYSA-N
XLogP3.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.11
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 114449595
3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxy]benzoic acid
CID 107305796
1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494556
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389
5-(3-bromo-4-fluorophenoxy)-3-tert-butyl-1,2,4-thiadiazole
CID 83231630
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273727
2-(3-iodophenoxy)-6-methylpyridine
CID 61400141
1,3,5-triiodo-2-(3-iodophenoxy)benzene
CID 154130113
2-chloro-4-(3-iodophenoxy)-5-methylpyridine
CID 83267091
4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766711
(3-iodophenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 10815295
5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 13336606

Frequently Asked Questions

What is the IUPAC name of 5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 107304592) is 5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nsc(Oc2cccc(I)c2)n1.
What is the InChIKey of 5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is HZNZVRYCXBFASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3IN2OS/c10-9(11,12)7-14-8(17-15-7)16-6-3-1-2-5(13)4-6/h1-4H.
What are the key properties of 5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 372.11 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107304592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).