1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane

C4Cl3F7O3S — CID 169224042

IUPAC1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane
SMILESO=S(=O)(Cl)OC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C4Cl3F7O3S/c5-1(8,2(9,10)4(12,13)14)3(6,11)17-18(7,15)16
InChIKeyUETVWVKXGLFIJK-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.45
Rot. Bonds4

About 1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane

1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane (PubChem CID 169224042) has the molecular formula C4Cl3F7O3S and a molecular weight of 367.45 g/mol. Its IUPAC name is 1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane.

Molecular Properties

Compound Name1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane
PubChem CID169224042
Molecular FormulaC4Cl3F7O3S
Molecular Weight367.45 g/mol
Exact Mass365.85
IUPAC Name1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane
SMILESO=S(=O)(Cl)OC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C4Cl3F7O3S/c5-1(8,2(9,10)4(12,13)14)3(6,11)17-18(7,15)16
InChIKeyUETVWVKXGLFIJK-UHFFFAOYSA-N
XLogP3.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane
CID 24972775
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonyl chloride
CID 22623361
1,1-dichloro-2,2,2-trifluoroethanesulfonyl chloride
CID 13311584
1-chloro-1,2,2,3,3,4,4,4-octafluorobutane-1-sulfonic acid
CID 87557611
1,1,2,2,3,3,3-heptafluoropropyl methanesulfonate
CID 87623488
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl methyl sulfate
CID 134426835
1-chloro-1,2,2,3,3,4,4,5,5,6,6,6-dodecafluorohexane-1-sulfonic acid
CID 138394286
1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride
CID 10926127
chlorosulfonylsulfonyl(trifluoro)methane
CID 134337537
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosylsulfonyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosane-1-sulfonate
CID 88836150
3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane
CID 18916016
2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride
CID 11360103

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane?
The IUPAC name of 1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane (CID 169224042) is 1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane.
What is the SMILES notation for 1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane?
The canonical SMILES for 1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane is O=S(=O)(Cl)OC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane?
The InChIKey is UETVWVKXGLFIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl3F7O3S/c5-1(8,2(9,10)4(12,13)14)3(6,11)17-18(7,15)16.
What are the key properties of 1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane?
1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane has a molecular weight of 367.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1-chlorosulfonyloxy-1,2,3,3,4,4,4-heptafluorobutane is sourced from PubChem (CID 169224042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).