2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole

C5H3F5N2S — CID 89178708

IUPAC2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole
SMILESCc1nnc(C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C5H3F5N2S/c1-2-11-12-3(13-2)4(6,7)5(8,9)10/h1H3
InChIKeyBCHYZHVJNVMNCF-UHFFFAOYSA-N
MW218.15 g/mol
LogP2.50
Rot. Bonds1

About 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole

2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole (PubChem CID 89178708) has the molecular formula C5H3F5N2S and a molecular weight of 218.15 g/mol. Its IUPAC name is 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole
PubChem CID89178708
Molecular FormulaC5H3F5N2S
Molecular Weight218.15 g/mol
Exact Mass217.99
IUPAC Name2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole
SMILESCc1nnc(C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C5H3F5N2S/c1-2-11-12-3(13-2)4(6,7)5(8,9)10/h1H3
InChIKeyBCHYZHVJNVMNCF-UHFFFAOYSA-N
XLogP2.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole (CID 89178708) is 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole is Cc1nnc(C(F)(F)C(F)(F)F)s1.
What is the InChIKey of 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole?
The InChIKey is BCHYZHVJNVMNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5N2S/c1-2-11-12-3(13-2)4(6,7)5(8,9)10/h1H3.
What are the key properties of 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole?
2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole has a molecular weight of 218.15 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 89178708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).