fluoromethanetrisulfonate

CFO9S3-3 — CID 59641509

IUPACfluoromethanetrisulfonate
SMILESO=S(=O)([O-])C(F)(S(=O)(=O)[O-])S(=O)(=O)[O-]
InChIInChI=1S/CH3FO9S3/c2-1(12(3,4)5,13(6,7)8)14(9,10)11/h(H,3,4,5)(H,6,7,8)(H,9,10,11)/p-3
InChIKeyMNRLSOIXMFGQAI-UHFFFAOYSA-K
MW271.20 g/mol
LogP-2.80
Rot. Bonds3

About fluoromethanetrisulfonate

fluoromethanetrisulfonate (PubChem CID 59641509) has the molecular formula CFO9S3-3 and a molecular weight of 271.20 g/mol. Its IUPAC name is fluoromethanetrisulfonate.

Molecular Properties

Compound Namefluoromethanetrisulfonate
PubChem CID59641509
Molecular FormulaCFO9S3-3
Molecular Weight271.20 g/mol
Exact Mass270.87
IUPAC Namefluoromethanetrisulfonate
SMILESO=S(=O)([O-])C(F)(S(=O)(=O)[O-])S(=O)(=O)[O-]
InChIInChI=1S/CH3FO9S3/c2-1(12(3,4)5,13(6,7)8)14(9,10)11/h(H,3,4,5)(H,6,7,8)(H,9,10,11)/p-3
InChIKeyMNRLSOIXMFGQAI-UHFFFAOYSA-K
XLogP-2.80
TPSA171.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 5-2.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
lithium 1,1,2,2-tetrafluoroethanesulfonate
CID 87303573
lanthanum(3+);tris(trifluoromethanesulfonate);hydrate
CID 71311383
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
CID 24866233
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148
lanthanum(3+);trifluoromethanesulfonate;hydrate
CID 22625223
scandium(3+);tris(trifluoromethanesulfonate);hydrate
CID 134128705
erbium(3+);tris(trifluoromethanesulfonate);hydrate
CID 141284699

Frequently Asked Questions

What is the IUPAC name of fluoromethanetrisulfonate?
The IUPAC name of fluoromethanetrisulfonate (CID 59641509) is fluoromethanetrisulfonate.
What is the SMILES notation for fluoromethanetrisulfonate?
The canonical SMILES for fluoromethanetrisulfonate is O=S(=O)([O-])C(F)(S(=O)(=O)[O-])S(=O)(=O)[O-].
What is the InChIKey of fluoromethanetrisulfonate?
The InChIKey is MNRLSOIXMFGQAI-UHFFFAOYSA-K. The full InChI is InChI=1S/CH3FO9S3/c2-1(12(3,4)5,13(6,7)8)14(9,10)11/h(H,3,4,5)(H,6,7,8)(H,9,10,11)/p-3.
What are the key properties of fluoromethanetrisulfonate?
fluoromethanetrisulfonate has a molecular weight of 271.20 g/mol, XLogP of -2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethanetrisulfonate is sourced from PubChem (CID 59641509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).