acetic acid;trifluoromethanesulfonic acid

C5H9F3O7S — CID 88669742

IUPACacetic acid;trifluoromethanesulfonic acid
SMILESCC(=O)O.CC(=O)O.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/2C2H4O2.CHF3O3S/c2*1-2(3)4;2-1(3,4)8(5,6)7/h2*1H3,(H,3,4);(H,5,6,7)
InChIKeyUWVCZBZZHSEJGQ-UHFFFAOYSA-N
MW270.18 g/mol
LogP0.58
Rot. Bonds

About acetic acid;trifluoromethanesulfonic acid

acetic acid;trifluoromethanesulfonic acid (PubChem CID 88669742) has the molecular formula C5H9F3O7S and a molecular weight of 270.18 g/mol. Its IUPAC name is acetic acid;trifluoromethanesulfonic acid.

Molecular Properties

Compound Nameacetic acid;trifluoromethanesulfonic acid
PubChem CID88669742
Molecular FormulaC5H9F3O7S
Molecular Weight270.18 g/mol
Exact Mass270.00
IUPAC Nameacetic acid;trifluoromethanesulfonic acid
SMILESCC(=O)O.CC(=O)O.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/2C2H4O2.CHF3O3S/c2*1-2(3)4;2-1(3,4)8(5,6)7/h2*1H3,(H,3,4);(H,5,6,7)
InChIKeyUWVCZBZZHSEJGQ-UHFFFAOYSA-N
XLogP0.58
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

CH3SO3H Tfa
CID 87071169
Acetic acid;trifluoromethanesulfonic acid
CID 87273891
Acetic acid;ethane-1,2-diol;trifluoromethanesulfonic acid
CID 87347476
2-Methylpropanoic acid;trifluoromethanesulfonic acid
CID 87347829
Methylsulfanylmethane;2,2,2-trifluoroacetic acid;trifluoromethanesulfonic acid
CID 87383559
Propanoic acid;trifluoromethanesulfonic acid
CID 87886700
Acetic acid;scandium;trifluoromethanesulfonic acid
CID 87971329
Difluoro(propanoyloxy)methanesulfonic acid
CID 118696010
Carbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid
CID 146308482
Acetic acid;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 158113111
Ethanesulfonic acid;2,2,2-trifluoroacetic acid
CID 158256592
Methyl acetate;trifluoromethanesulfonic acid
CID 159718873

Frequently Asked Questions

What is the IUPAC name of acetic acid;trifluoromethanesulfonic acid?
The IUPAC name of acetic acid;trifluoromethanesulfonic acid (CID 88669742) is acetic acid;trifluoromethanesulfonic acid.
What is the SMILES notation for acetic acid;trifluoromethanesulfonic acid?
The canonical SMILES for acetic acid;trifluoromethanesulfonic acid is CC(=O)O.CC(=O)O.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of acetic acid;trifluoromethanesulfonic acid?
The InChIKey is UWVCZBZZHSEJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O2.CHF3O3S/c2*1-2(3)4;2-1(3,4)8(5,6)7/h2*1H3,(H,3,4);(H,5,6,7).
What are the key properties of acetic acid;trifluoromethanesulfonic acid?
acetic acid;trifluoromethanesulfonic acid has a molecular weight of 270.18 g/mol, XLogP of 0.58, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;trifluoromethanesulfonic acid is sourced from PubChem (CID 88669742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).