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

C3HF4N3O — CID 20685010

IUPAC[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite
SMILESFOc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C3HF4N3O/c4-3(5,6)1-8-2(11-7)10-9-1/h(H,8,9,10)
InChIKeyHYALUSNOHRQDQW-UHFFFAOYSA-N
MW171.05 g/mol
LogP1.09
Rot. Bonds1

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

[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite (PubChem CID 20685010) has the molecular formula C3HF4N3O and a molecular weight of 171.05 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite
PubChem CID20685010
Molecular FormulaC3HF4N3O
Molecular Weight171.05 g/mol
Exact Mass171.01
IUPAC Name[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite
SMILESFOc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C3HF4N3O/c4-3(5,6)1-8-2(11-7)10-9-1/h(H,8,9,10)
InChIKeyHYALUSNOHRQDQW-UHFFFAOYSA-N
XLogP1.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.05
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine
CID 350826
3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine
CID 539515
3,5-Bis(heptafluoropropyl)-1H-1,2,4-triazole
CID 250987
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
5-(trifluoromethyl)-1H-1,2,4-triazole-3-carbonitrile
CID 12095231
3-Hydrazinyl-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 13046510
3,5-bis(trifluoromethyl)-1H-1,2,4-triazole
CID 14688516
[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] thiohypofluorite
CID 20684997
3-isocyano-5-(trifluoromethyl)-4H-1,2,4-triazole
CID 20746472
3-(1-fluoroethenoxy)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 20760655

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite?
The IUPAC name of [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite (CID 20685010) is [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite.
What is the SMILES notation for [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite?
The canonical SMILES for [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite is FOc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite?
The InChIKey is HYALUSNOHRQDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF4N3O/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] hypofluorite?
[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite has a molecular weight of 171.05 g/mol, XLogP of 1.09, 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] hypofluorite is sourced from PubChem (CID 20685010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).