2-fluoro-2H-1,3,4-thiadiazol-5-one

C2HFN2OS — CID 174841926

IUPAC2-fluoro-2H-1,3,4-thiadiazol-5-one
SMILESO=C1N=NC(F)S1
InChIInChI=1S/C2HFN2OS/c3-1-4-5-2(6)7-1/h1H
InChIKeyNVFIZUXJISKVRR-UHFFFAOYSA-N
MW120.11 g/mol
LogP1.56
Rot. Bonds

About 2-fluoro-2H-1,3,4-thiadiazol-5-one

2-fluoro-2H-1,3,4-thiadiazol-5-one (PubChem CID 174841926) has the molecular formula C2HFN2OS and a molecular weight of 120.11 g/mol. Its IUPAC name is 2-fluoro-2H-1,3,4-thiadiazol-5-one.

Molecular Properties

Compound Name2-fluoro-2H-1,3,4-thiadiazol-5-one
PubChem CID174841926
Molecular FormulaC2HFN2OS
Molecular Weight120.11 g/mol
Exact Mass119.98
IUPAC Name2-fluoro-2H-1,3,4-thiadiazol-5-one
SMILESO=C1N=NC(F)S1
InChIInChI=1S/C2HFN2OS/c3-1-4-5-2(6)7-1/h1H
InChIKeyNVFIZUXJISKVRR-UHFFFAOYSA-N
XLogP1.56
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2H-1,3,4-thiadiazol-5-one?
The IUPAC name of 2-fluoro-2H-1,3,4-thiadiazol-5-one (CID 174841926) is 2-fluoro-2H-1,3,4-thiadiazol-5-one.
What is the SMILES notation for 2-fluoro-2H-1,3,4-thiadiazol-5-one?
The canonical SMILES for 2-fluoro-2H-1,3,4-thiadiazol-5-one is O=C1N=NC(F)S1.
What is the InChIKey of 2-fluoro-2H-1,3,4-thiadiazol-5-one?
The InChIKey is NVFIZUXJISKVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HFN2OS/c3-1-4-5-2(6)7-1/h1H.
What are the key properties of 2-fluoro-2H-1,3,4-thiadiazol-5-one?
2-fluoro-2H-1,3,4-thiadiazol-5-one has a molecular weight of 120.11 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2H-1,3,4-thiadiazol-5-one is sourced from PubChem (CID 174841926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).