trifluoromethanesulfonic acid;hydrofluoride

CH2F4O3S — CID 87139590

IUPACtrifluoromethanesulfonic acid;hydrofluoride
SMILESF.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/CHF3O3S.FH/c2-1(3,4)8(5,6)7;/h(H,5,6,7);1H
InChIKeyAILINJKDNUXKJW-UHFFFAOYSA-N
MW170.08 g/mol
LogP0.55
Rot. Bonds

About trifluoromethanesulfonic acid;hydrofluoride

trifluoromethanesulfonic acid;hydrofluoride (PubChem CID 87139590) has the molecular formula CH2F4O3S and a molecular weight of 170.08 g/mol. Its IUPAC name is trifluoromethanesulfonic acid;hydrofluoride.

Molecular Properties

Compound Nametrifluoromethanesulfonic acid;hydrofluoride
PubChem CID87139590
Molecular FormulaCH2F4O3S
Molecular Weight170.08 g/mol
Exact Mass169.97
IUPAC Nametrifluoromethanesulfonic acid;hydrofluoride
SMILESF.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/CHF3O3S.FH/c2-1(3,4)8(5,6)7;/h(H,5,6,7);1H
InChIKeyAILINJKDNUXKJW-UHFFFAOYSA-N
XLogP0.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride
CID 174954004
platinum;trifluoromethanesulfonic acid
CID 87655055
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
trifluoromethanesulfonic acid;zinc
CID 45051803
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
benzene;trifluoromethanesulfonic acid;pentahydrofluoride
CID 174901351
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356
hafnium;trifluoromethanesulfonic acid;hydrate
CID 174756468
bis(trifluoromethanesulfonic acid);zinc;hydrate
CID 175736701
iodomethane;trifluoromethanesulfonic acid
CID 87959782
benzene;trifluoromethanesulfonic acid
CID 87157881

Frequently Asked Questions

What is the IUPAC name of trifluoromethanesulfonic acid;hydrofluoride?
The IUPAC name of trifluoromethanesulfonic acid;hydrofluoride (CID 87139590) is trifluoromethanesulfonic acid;hydrofluoride.
What is the SMILES notation for trifluoromethanesulfonic acid;hydrofluoride?
The canonical SMILES for trifluoromethanesulfonic acid;hydrofluoride is F.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of trifluoromethanesulfonic acid;hydrofluoride?
The InChIKey is AILINJKDNUXKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF3O3S.FH/c2-1(3,4)8(5,6)7;/h(H,5,6,7);1H.
What are the key properties of trifluoromethanesulfonic acid;hydrofluoride?
trifluoromethanesulfonic acid;hydrofluoride has a molecular weight of 170.08 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonic acid;hydrofluoride is sourced from PubChem (CID 87139590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).