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

C4HF11O3S — CID 22714822

IUPAC1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfurofluoridic acid
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)F
InChIInChI=1S/C4F10.FHO3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-5(2,3)4/h;(H,2,3,4)
InChIKeyAQQYMBHLHTVEAD-UHFFFAOYSA-N
MW338.09 g/mol
LogP3.14
Rot. Bonds1

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

1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfurofluoridic acid (PubChem CID 22714822) has the molecular formula C4HF11O3S and a molecular weight of 338.09 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfurofluoridic acid.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfurofluoridic acid
PubChem CID22714822
Molecular FormulaC4HF11O3S
Molecular Weight338.09 g/mol
Exact Mass337.95
IUPAC Name1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfurofluoridic acid
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)F
InChIInChI=1S/C4F10.FHO3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-5(2,3)4/h;(H,2,3,4)
InChIKeyAQQYMBHLHTVEAD-UHFFFAOYSA-N
XLogP3.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.09
LogP ≤ 53.14
H-Bond Donors ≤ 51
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;sulfurofluoridic 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

1,1,1,2,2,3,3,4,4,4-Decafluorobutane;sulfuric acid
CID 23205451
1,1,1,2,2,3,3,4,4,4-Decafluorobutane;sulfuryl difluoride
CID 87064196
1,1,1,2,2,3,3,4,4,4-Decafluorobutane;fluorosulfonyl hypofluorite
CID 88010786
1,1,1,2,2,3,3,4,4,4-Decafluorobutane;hydrogen sulfite
CID 174554073

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfurofluoridic acid?
The IUPAC name of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfurofluoridic acid (CID 22714822) is 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfurofluoridic acid.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfurofluoridic acid?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfurofluoridic acid is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfurofluoridic acid?
The InChIKey is AQQYMBHLHTVEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10.FHO3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-5(2,3)4/h;(H,2,3,4).
What are the key properties of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfurofluoridic acid?
1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfurofluoridic acid has a molecular weight of 338.09 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 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;sulfurofluoridic acid is sourced from PubChem (CID 22714822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).