5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride

C3H3F2N3O2S — CID 58361885

IUPAC5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1n[nH]c(CF)n1
InChIInChI=1S/C3H3F2N3O2S/c4-1-2-6-3(8-7-2)11(5,9)10/h1H2,(H,6,7,8)
InChIKeyVBAXWKLQDPFWGO-UHFFFAOYSA-N
MW183.14 g/mol
LogP-0.07
Rot. Bonds2

About 5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride

5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 58361885) has the molecular formula C3H3F2N3O2S and a molecular weight of 183.14 g/mol. Its IUPAC name is 5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID58361885
Molecular FormulaC3H3F2N3O2S
Molecular Weight183.14 g/mol
Exact Mass182.99
IUPAC Name5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1n[nH]c(CF)n1
InChIInChI=1S/C3H3F2N3O2S/c4-1-2-6-3(8-7-2)11(5,9)10/h1H2,(H,6,7,8)
InChIKeyVBAXWKLQDPFWGO-UHFFFAOYSA-N
XLogP-0.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride (CID 58361885) is 5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride is O=S(=O)(F)c1n[nH]c(CF)n1.
What is the InChIKey of 5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is VBAXWKLQDPFWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F2N3O2S/c4-1-2-6-3(8-7-2)11(5,9)10/h1H2,(H,6,7,8).
What are the key properties of 5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride?
5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 183.14 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1H-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 58361885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).