1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid

C3H2F8O4S — CID 87599403

IUPAC1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid
SMILESFC(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)O
InChIInChI=1S/C3F8.H2O4S/c4-1(5,2(6,7)8)3(9,10)11;1-5(2,3)4/h;(H2,1,2,3,4)
InChIKeyBMQXYFXGIDWWHO-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.09
Rot. Bonds

About 1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid

1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid (PubChem CID 87599403) has the molecular formula C3H2F8O4S and a molecular weight of 286.10 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid.

Molecular Properties

Compound Name1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid
PubChem CID87599403
Molecular FormulaC3H2F8O4S
Molecular Weight286.10 g/mol
Exact Mass285.95
IUPAC Name1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid
SMILESFC(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)O
InChIInChI=1S/C3F8.H2O4S/c4-1(5,2(6,7)8)3(9,10)11;1-5(2,3)4/h;(H2,1,2,3,4)
InChIKeyBMQXYFXGIDWWHO-UHFFFAOYSA-N
XLogP2.09
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,4-Decafluorobutane;sulfuric acid
CID 23205451
Perfluoropropyl hydrogen sulfate
CID 87623535
Sulfuric acid;bis(tetrafluoromethane)
CID 20287331
Sulfuric acid;1,1,2,2-tetrafluoroethene
CID 87509376
Potassium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid
CID 173036319
Lithium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid
CID 173279796
Sodium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfuric acid
CID 173406048
Bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid
CID 174440360
1,1,2,3,3,3-Hexafluoroprop-1-ene;sulfuric acid
CID 175375976

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid?
The IUPAC name of 1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid (CID 87599403) is 1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid.
What is the SMILES notation for 1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid?
The canonical SMILES for 1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid is FC(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)O.
What is the InChIKey of 1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid?
The InChIKey is BMQXYFXGIDWWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F8.H2O4S/c4-1(5,2(6,7)8)3(9,10)11;1-5(2,3)4/h;(H2,1,2,3,4).
What are the key properties of 1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid?
1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid has a molecular weight of 286.10 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,3-octafluoropropane;sulfuric acid is sourced from PubChem (CID 87599403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).