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

C9H4F3IN2OS — CID 114449595

IUPAC2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(Oc2cccc(I)c2)s1
InChIInChI=1S/C9H4F3IN2OS/c10-9(11,12)7-14-15-8(17-7)16-6-3-1-2-5(13)4-6/h1-4H
InChIKeyZFMPEXDRNFYXTQ-UHFFFAOYSA-N
MW372.11 g/mol
LogP3.95
Rot. Bonds2

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

2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 114449595) has the molecular formula C9H4F3IN2OS and a molecular weight of 372.11 g/mol. Its IUPAC name is 2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID114449595
Molecular FormulaC9H4F3IN2OS
Molecular Weight372.11 g/mol
Exact Mass371.90
IUPAC Name2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESFC(F)(F)c1nnc(Oc2cccc(I)c2)s1
InChIInChI=1S/C9H4F3IN2OS/c10-9(11,12)7-14-15-8(17-7)16-6-3-1-2-5(13)4-6/h1-4H
InChIKeyZFMPEXDRNFYXTQ-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 114449595) is 2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole is FC(F)(F)c1nnc(Oc2cccc(I)c2)s1.
What is the InChIKey of 2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is ZFMPEXDRNFYXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3IN2OS/c10-9(11,12)7-14-15-8(17-7)16-6-3-1-2-5(13)4-6/h1-4H.
What are the key properties of 2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-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 2-(3-iodophenoxy)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 114449595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).