[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite

C3HF4N3S — CID 20684997

IUPAC[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite
SMILESFSc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C3HF4N3S/c4-3(5,6)1-8-2(11-7)10-9-1/h(H,8,9,10)
InChIKeyQNBDDNCTBIMDQA-UHFFFAOYSA-N
MW187.12 g/mol
LogP1.80
Rot. Bonds1

About [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite

[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite (PubChem CID 20684997) has the molecular formula C3HF4N3S and a molecular weight of 187.12 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite
PubChem CID20684997
Molecular FormulaC3HF4N3S
Molecular Weight187.12 g/mol
Exact Mass186.98
IUPAC Name[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite
SMILESFSc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C3HF4N3S/c4-3(5,6)1-8-2(11-7)10-9-1/h(H,8,9,10)
InChIKeyQNBDDNCTBIMDQA-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine
CID 350826
3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 339582
3-Bromo-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 21134654
3-iodo-5-(trifluoromethyl)-4H-1,2,4-triazole
CID 70307784
5-azido-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 135981721
3,5-bis(trifluoromethyl)-1H-1,2,4-triazole
CID 14688516
[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite
CID 20685010
3-isocyano-5-(trifluoromethyl)-4H-1,2,4-triazole
CID 20746472
3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 22956420
3-chloro-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 45791131
5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium
CID 58361891
5-(trifluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride
CID 58361899

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite?
The IUPAC name of [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite (CID 20684997) is [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite.
What is the SMILES notation for [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite?
The canonical SMILES for [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite is FSc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite?
The InChIKey is QNBDDNCTBIMDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF4N3S/c4-3(5,6)1-8-2(11-7)10-9-1/h(H,8,9,10).
What are the key properties of [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite?
[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite has a molecular weight of 187.12 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite is sourced from PubChem (CID 20684997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).