1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid

C3H4F6O5S — CID 21328174

IUPAC1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid
SMILESO=S(=O)(O)O.OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O.H2O4S/c4-1(5)2(6,10)3(7,8)9;1-5(2,3)4/h1,10H;(H2,1,2,3,4)
InChIKeyZREQPPFZOAYZKO-UHFFFAOYSA-N
MW266.12 g/mol
LogP0.82
Rot. Bonds1

About 1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid

1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid (PubChem CID 21328174) has the molecular formula C3H4F6O5S and a molecular weight of 266.12 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid
PubChem CID21328174
Molecular FormulaC3H4F6O5S
Molecular Weight266.12 g/mol
Exact Mass265.97
IUPAC Name1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid
SMILESO=S(=O)(O)O.OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O.H2O4S/c4-1(5)2(6,10)3(7,8)9;1-5(2,3)4/h1,10H;(H2,1,2,3,4)
InChIKeyZREQPPFZOAYZKO-UHFFFAOYSA-N
XLogP0.82
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid?
The IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid (CID 21328174) is 1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid?
The canonical SMILES for 1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid is O=S(=O)(O)O.OC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid?
The InChIKey is ZREQPPFZOAYZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O.H2O4S/c4-1(5)2(6,10)3(7,8)9;1-5(2,3)4/h1,10H;(H2,1,2,3,4).
What are the key properties of 1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid?
1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid has a molecular weight of 266.12 g/mol, XLogP of 0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoropropan-2-ol;sulfuric acid is sourced from PubChem (CID 21328174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).