tris(trifluoromethylsulfonyl)methanol

C4HF9O7S3 — CID 89484396

IUPACtris(trifluoromethylsulfonyl)methanol
SMILESO=S(=O)(C(F)(F)F)C(O)(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4HF9O7S3/c5-1(6,7)21(15,16)4(14,22(17,18)2(8,9)10)23(19,20)3(11,12)13/h14H
InChIKeyLXFWNTMNKLERJP-UHFFFAOYSA-N
MW428.23 g/mol
LogP0.39
Rot. Bonds3

About tris(trifluoromethylsulfonyl)methanol

tris(trifluoromethylsulfonyl)methanol (PubChem CID 89484396) has the molecular formula C4HF9O7S3 and a molecular weight of 428.23 g/mol. Its IUPAC name is tris(trifluoromethylsulfonyl)methanol.

Molecular Properties

Compound Nametris(trifluoromethylsulfonyl)methanol
PubChem CID89484396
Molecular FormulaC4HF9O7S3
Molecular Weight428.23 g/mol
Exact Mass427.87
IUPAC Nametris(trifluoromethylsulfonyl)methanol
SMILESO=S(=O)(C(F)(F)F)C(O)(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4HF9O7S3/c5-1(6,7)21(15,16)4(14,22(17,18)2(8,9)10)23(19,20)3(11,12)13/h14H
InChIKeyLXFWNTMNKLERJP-UHFFFAOYSA-N
XLogP0.39
TPSA122.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

trifluoro-[iodo-bis(trifluoromethylsulfonyl)methyl]sulfonylmethane
CID 141352262
1,1-bis(trifluoromethylsulfonyl)butan-1-ol
CID 21467863
1,1,1,3,3-pentafluoro-3-(1,1,3,3,3-pentafluoro-2-oxopropyl)sulfonylpropan-2-one
CID 178076277
3-methyl-3-(trifluoromethylsulfonyl)pentane
CID 88539345
trifluoromethylsulfonylazanide
CID 18339154
trifluoro(methylsulfonyl)methane
CID 11215049
trifluoro(methanidylsulfonyl)methane
CID 22078458
platinum;trifluoromethanesulfonic acid
CID 87655055
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
trifluoromethanesulfonic acid;zinc
CID 45051803
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590

Frequently Asked Questions

What is the IUPAC name of tris(trifluoromethylsulfonyl)methanol?
The IUPAC name of tris(trifluoromethylsulfonyl)methanol (CID 89484396) is tris(trifluoromethylsulfonyl)methanol.
What is the SMILES notation for tris(trifluoromethylsulfonyl)methanol?
The canonical SMILES for tris(trifluoromethylsulfonyl)methanol is O=S(=O)(C(F)(F)F)C(O)(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of tris(trifluoromethylsulfonyl)methanol?
The InChIKey is LXFWNTMNKLERJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O7S3/c5-1(6,7)21(15,16)4(14,22(17,18)2(8,9)10)23(19,20)3(11,12)13/h14H.
What are the key properties of tris(trifluoromethylsulfonyl)methanol?
tris(trifluoromethylsulfonyl)methanol has a molecular weight of 428.23 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trifluoromethylsulfonyl)methanol is sourced from PubChem (CID 89484396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).