1,1,1,3,3,3-hexafluoropropane;sulfuric acid

C3H4F6O4S — CID 89395972

IUPAC1,1,1,3,3,3-hexafluoropropane;sulfuric acid
SMILESFC(F)(F)CC(F)(F)F.O=S(=O)(O)O
InChIInChI=1S/C3H2F6.H2O4S/c4-2(5,6)1-3(7,8)9;1-5(2,3)4/h1H2;(H2,1,2,3,4)
InChIKeyWQQRXEURDFWTKY-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.85
Rot. Bonds

About 1,1,1,3,3,3-hexafluoropropane;sulfuric acid

1,1,1,3,3,3-hexafluoropropane;sulfuric acid (PubChem CID 89395972) has the molecular formula C3H4F6O4S and a molecular weight of 250.12 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropane;sulfuric acid.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropane;sulfuric acid
PubChem CID89395972
Molecular FormulaC3H4F6O4S
Molecular Weight250.12 g/mol
Exact Mass249.97
IUPAC Name1,1,1,3,3,3-hexafluoropropane;sulfuric acid
SMILESFC(F)(F)CC(F)(F)F.O=S(=O)(O)O
InChIInChI=1S/C3H2F6.H2O4S/c4-2(5,6)1-3(7,8)9;1-5(2,3)4/h1H2;(H2,1,2,3,4)
InChIKeyWQQRXEURDFWTKY-UHFFFAOYSA-N
XLogP1.85
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,1,1,3,3,3-hexafluoropropane;sulfuric acid?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropane;sulfuric acid (CID 89395972) is 1,1,1,3,3,3-hexafluoropropane;sulfuric acid.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropane;sulfuric acid?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropane;sulfuric acid is FC(F)(F)CC(F)(F)F.O=S(=O)(O)O.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropane;sulfuric acid?
The InChIKey is WQQRXEURDFWTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6.H2O4S/c4-2(5,6)1-3(7,8)9;1-5(2,3)4/h1H2;(H2,1,2,3,4).
What are the key properties of 1,1,1,3,3,3-hexafluoropropane;sulfuric acid?
1,1,1,3,3,3-hexafluoropropane;sulfuric acid has a molecular weight of 250.12 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropane;sulfuric acid is sourced from PubChem (CID 89395972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).