sodium;prop-2-ene-1-sulfonic acid;trifluoromethane

C4H6F3NaO3S — CID 174596418

IUPACsodium;prop-2-ene-1-sulfonic acid;trifluoromethane
SMILESC=CCS(=O)(=O)O.F[C-](F)F.[Na+]
InChIInChI=1S/C3H6O3S.CF3.Na/c1-2-3-7(4,5)6;2-1(3)4;/h2H,1,3H2,(H,4,5,6);;/q;-1;+1
InChIKeyXSNVUASVWRRITQ-UHFFFAOYSA-N
MW214.14 g/mol
LogP-1.59
Rot. Bonds2

About sodium;prop-2-ene-1-sulfonic acid;trifluoromethane

sodium;prop-2-ene-1-sulfonic acid;trifluoromethane (PubChem CID 174596418) has the molecular formula C4H6F3NaO3S and a molecular weight of 214.14 g/mol. Its IUPAC name is sodium;prop-2-ene-1-sulfonic acid;trifluoromethane.

Molecular Properties

Compound Namesodium;prop-2-ene-1-sulfonic acid;trifluoromethane
PubChem CID174596418
Molecular FormulaC4H6F3NaO3S
Molecular Weight214.14 g/mol
Exact Mass213.99
IUPAC Namesodium;prop-2-ene-1-sulfonic acid;trifluoromethane
SMILESC=CCS(=O)(=O)O.F[C-](F)F.[Na+]
InChIInChI=1S/C3H6O3S.CF3.Na/c1-2-3-7(4,5)6;2-1(3)4;/h2H,1,3H2,(H,4,5,6);;/q;-1;+1
InChIKeyXSNVUASVWRRITQ-UHFFFAOYSA-N
XLogP-1.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
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nickel;prop-2-ene-1-sulfonic acid
CID 87111330
phosphane;prop-2-ene-1-sulfonic acid
CID 87475193
ethenol;prop-2-ene-1-sulfonic acid
CID 174528992
cesium;hydride;prop-2-ene-1-sulfonic acid
CID 173073935
ethenesulfonic acid;prop-2-ene-1-sulfonic acid
CID 87136700
dihydroxy(oxo)phosphanium;prop-2-ene-1-sulfonic acid
CID 87348389
prop-2-ene-1-sulfonic acid;prop-2-ene-1-thiol
CID 155045725
ethenyl methanesulfonate;prop-2-ene-1-sulfonic acid
CID 175807868
sodium;hydride;4-oxo-4-prop-2-enoxybutanoic acid;prop-2-ene-1-sulfonic acid
CID 175217911
prop-2-ene-1-sulfonic acid;trimethyl(octyl)azanium
CID 88536950

Frequently Asked Questions

What is the IUPAC name of sodium;prop-2-ene-1-sulfonic acid;trifluoromethane?
The IUPAC name of sodium;prop-2-ene-1-sulfonic acid;trifluoromethane (CID 174596418) is sodium;prop-2-ene-1-sulfonic acid;trifluoromethane.
What is the SMILES notation for sodium;prop-2-ene-1-sulfonic acid;trifluoromethane?
The canonical SMILES for sodium;prop-2-ene-1-sulfonic acid;trifluoromethane is C=CCS(=O)(=O)O.F[C-](F)F.[Na+].
What is the InChIKey of sodium;prop-2-ene-1-sulfonic acid;trifluoromethane?
The InChIKey is XSNVUASVWRRITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S.CF3.Na/c1-2-3-7(4,5)6;2-1(3)4;/h2H,1,3H2,(H,4,5,6);;/q;-1;+1.
What are the key properties of sodium;prop-2-ene-1-sulfonic acid;trifluoromethane?
sodium;prop-2-ene-1-sulfonic acid;trifluoromethane has a molecular weight of 214.14 g/mol, XLogP of -1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;prop-2-ene-1-sulfonic acid;trifluoromethane is sourced from PubChem (CID 174596418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).