1,2,3-trifluoroprop-2-ene-1-sulfonic acid

C3H3F3O3S — CID 173093904

IUPAC1,2,3-trifluoroprop-2-ene-1-sulfonic acid
SMILESO=S(=O)(O)C(F)C(F)=CF
InChIInChI=1S/C3H3F3O3S/c4-1-2(5)3(6)10(7,8)9/h1,3H,(H,7,8,9)
InChIKeyYLHOMHYSWALCCJ-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.95
Rot. Bonds2

About 1,2,3-trifluoroprop-2-ene-1-sulfonic acid

1,2,3-trifluoroprop-2-ene-1-sulfonic acid (PubChem CID 173093904) has the molecular formula C3H3F3O3S and a molecular weight of 176.12 g/mol. Its IUPAC name is 1,2,3-trifluoroprop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Name1,2,3-trifluoroprop-2-ene-1-sulfonic acid
PubChem CID173093904
Molecular FormulaC3H3F3O3S
Molecular Weight176.12 g/mol
Exact Mass175.98
IUPAC Name1,2,3-trifluoroprop-2-ene-1-sulfonic acid
SMILESO=S(=O)(O)C(F)C(F)=CF
InChIInChI=1S/C3H3F3O3S/c4-1-2(5)3(6)10(7,8)9/h1,3H,(H,7,8,9)
InChIKeyYLHOMHYSWALCCJ-UHFFFAOYSA-N
XLogP0.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

copper;difluoromethanesulfonic acid
CID 174361368
sodium 2-fluoro-2-sulfoacetate
CID 141149406
3-chloro-1,2,3-trifluoroprop-1-ene
CID 54378571
3-bromo-1,2,3-trifluoroprop-1-ene
CID 173452706
(Z)-1,2,3,4,4-pentafluorobut-1-ene
CID 21096869
fluoro(sulfanyl)methanesulfonic acid
CID 175256377
1-bromo-2,2-difluoroethanesulfonic acid
CID 174255569
1-fluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid
CID 89457827
1,2,3-trifluoroprop-2-enyl prop-2-enoate
CID 173408929
1-fluoro-2-hydroxypropane-1-sulfonic acid
CID 149010434
1-fluoro-2-methylpropane-1-sulfonic acid;hydrochloride
CID 174839844
sodium;2-fluoro-2-fluorooxysulfonylacetic acid;hydride
CID 175414468

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoroprop-2-ene-1-sulfonic acid?
The IUPAC name of 1,2,3-trifluoroprop-2-ene-1-sulfonic acid (CID 173093904) is 1,2,3-trifluoroprop-2-ene-1-sulfonic acid.
What is the SMILES notation for 1,2,3-trifluoroprop-2-ene-1-sulfonic acid?
The canonical SMILES for 1,2,3-trifluoroprop-2-ene-1-sulfonic acid is O=S(=O)(O)C(F)C(F)=CF.
What is the InChIKey of 1,2,3-trifluoroprop-2-ene-1-sulfonic acid?
The InChIKey is YLHOMHYSWALCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O3S/c4-1-2(5)3(6)10(7,8)9/h1,3H,(H,7,8,9).
What are the key properties of 1,2,3-trifluoroprop-2-ene-1-sulfonic acid?
1,2,3-trifluoroprop-2-ene-1-sulfonic acid has a molecular weight of 176.12 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoroprop-2-ene-1-sulfonic acid is sourced from PubChem (CID 173093904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).