1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid

C4H2F10O4S — CID 23205451

IUPAC1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)O
InChIInChI=1S/C4F10.H2O4S/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-5(2,3)4/h;(H2,1,2,3,4)
InChIKeyZWWGKYHSHZDTKG-UHFFFAOYSA-N
MW336.10 g/mol
LogP2.73
Rot. Bonds1

About 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid

1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid (PubChem CID 23205451) has the molecular formula C4H2F10O4S and a molecular weight of 336.10 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid
PubChem CID23205451
Molecular FormulaC4H2F10O4S
Molecular Weight336.10 g/mol
Exact Mass335.95
IUPAC Name1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)O
InChIInChI=1S/C4F10.H2O4S/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-5(2,3)4/h;(H2,1,2,3,4)
InChIKeyZWWGKYHSHZDTKG-UHFFFAOYSA-N
XLogP2.73
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.10
LogP ≤ 52.73
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'}

Analyze 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propyl] hydrogen sulfate
CID 162345126
1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfate
CID 14163497
1,1,1,2,2,3,3,4,4,4-Decafluorobutane;sulfurofluoridic acid
CID 22714822
1,1,1,2,2,3,3,3-Octafluoropropane;sulfuric acid
CID 87599403
1,1,1,2,2,3,3,4,4,4-Decafluorobutane;difluoro sulfate
CID 88326718
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
Lithium;bis(1,1,1,2,2,2-hexafluoroethane);hydride;sulfuric acid
CID 174415817
Bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid
CID 174440360
1,1,1,2,2,3,3,4,4,4-Decafluorobutane;hydrogen sulfite
CID 174554073
CID 175357470
CID 175357470

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid?
The IUPAC name of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid (CID 23205451) is 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)O.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid?
The InChIKey is ZWWGKYHSHZDTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10.H2O4S/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-5(2,3)4/h;(H2,1,2,3,4).
What are the key properties of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid?
1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid has a molecular weight of 336.10 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuric acid is sourced from PubChem (CID 23205451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).