2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole

C8H4FIN2S — CID 130052679

IUPAC2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole
SMILESFc1cc(-c2nncs2)ccc1I
InChIInChI=1S/C8H4FIN2S/c9-6-3-5(1-2-7(6)10)8-12-11-4-13-8/h1-4H
InChIKeyXIMMBTHVXBZZAM-UHFFFAOYSA-N
MW306.10 g/mol
LogP2.95
Rot. Bonds1

About 2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole

2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole (PubChem CID 130052679) has the molecular formula C8H4FIN2S and a molecular weight of 306.10 g/mol. Its IUPAC name is 2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole
PubChem CID130052679
Molecular FormulaC8H4FIN2S
Molecular Weight306.10 g/mol
Exact Mass305.91
IUPAC Name2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole
SMILESFc1cc(-c2nncs2)ccc1I
InChIInChI=1S/C8H4FIN2S/c9-6-3-5(1-2-7(6)10)8-12-11-4-13-8/h1-4H
InChIKeyXIMMBTHVXBZZAM-UHFFFAOYSA-N
XLogP2.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
2-Phenyl-1,3,4-thiadiazole
CID 199501
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Bromo-5-phenyl-1,3,4-thiadiazole
CID 13104117
2-Iodo-5-phenyl-1,3,4-thiadiazole
CID 63384141
2-Chloro-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 13318778
2-(2-Fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 139221813
2-Methylsulfanyl-5-phenyl-1,3,4-thiadiazole
CID 13586968
2-(4-Fluorophenyl)-1,3,4-thiadiazole
CID 21750329
2-Phenyl-5-trifluoromethyl-1,3,4-thiadiazole
CID 11379210
2-Chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 13318779
2-Chloro-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 13318780

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole (CID 130052679) is 2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole is Fc1cc(-c2nncs2)ccc1I.
What is the InChIKey of 2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole?
The InChIKey is XIMMBTHVXBZZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FIN2S/c9-6-3-5(1-2-7(6)10)8-12-11-4-13-8/h1-4H.
What are the key properties of 2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole?
2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole has a molecular weight of 306.10 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-iodophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130052679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).