1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride

C4HClF8O2S — CID 11077460

IUPAC1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4HClF8O2S/c5-16(14,15)4(12,13)3(10,11)2(8,9)1(6)7/h1H
InChIKeyATUDHCRDFRGAOM-UHFFFAOYSA-N
MW300.55 g/mol
LogP2.68
Rot. Bonds4

About 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride

1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride (PubChem CID 11077460) has the molecular formula C4HClF8O2S and a molecular weight of 300.55 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride
PubChem CID11077460
Molecular FormulaC4HClF8O2S
Molecular Weight300.55 g/mol
Exact Mass299.93
IUPAC Name1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4HClF8O2S/c5-16(14,15)4(12,13)3(10,11)2(8,9)1(6)7/h1H
InChIKeyATUDHCRDFRGAOM-UHFFFAOYSA-N
XLogP2.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.55
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl chloride
CID 324955
Perfluorobutanesulfonate
CID 3741048
Potassium 1,1,2,2,3,3,4,4-octafluorobutane-1-sulphonate
CID 23692701
1,1,2,2,3,3,4,4-Octafluorobutane-1-sulphonic acid
CID 3018003
Pfsa-H; C4H2F8O3S
CID 59736185
2,2,3,3-Tetrafluoropropane-1-sulfonyl chloride
CID 21498346
2,2,3,3,3-Pentafluoropropane-1-sulfonyl chloride
CID 71758125
Trifluoroethylsulfonylchloride
CID 19691189
3,3,4,4,4-Pentafluorobutane-1-sulfonyl chloride
CID 55279085
3,3,4,4-Tetrafluorobutane-1-sulfonyl chloride
CID 137949872
1,1,2,2,3,3-Hexafluoro-4-iodobutane-1-sulfonyl chloride
CID 134992852
2,2,3,3,4,4,5,5-octafluoropentane-1-sulfonyl Chloride
CID 11162831

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride (CID 11077460) is 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride is O=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride?
The InChIKey is ATUDHCRDFRGAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF8O2S/c5-16(14,15)4(12,13)3(10,11)2(8,9)1(6)7/h1H.
What are the key properties of 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride?
1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride has a molecular weight of 300.55 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl chloride is sourced from PubChem (CID 11077460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).