1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane

C5F12O2S — CID 22105014

IUPAC1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane
SMILESO=S(=O)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5F12O2S/c6-1(2(7,8)9,3(10,11)12)20(18,19)5(16,17)4(13,14)15
InChIKeyAQXZCGKOCSKMBU-UHFFFAOYSA-N
MW352.10 g/mol
LogP3.35
Rot. Bonds2

About 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane

1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane (PubChem CID 22105014) has the molecular formula C5F12O2S and a molecular weight of 352.10 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane
PubChem CID22105014
Molecular FormulaC5F12O2S
Molecular Weight352.10 g/mol
Exact Mass351.94
IUPAC Name1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane
SMILESO=S(=O)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5F12O2S/c6-1(2(7,8)9,3(10,11)12)20(18,19)5(16,17)4(13,14)15
InChIKeyAQXZCGKOCSKMBU-UHFFFAOYSA-N
XLogP3.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 53.35
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

1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide
CID 138683486
1,1,2,2,2-pentafluoroethanesulfonate
CID 22062497
lithium;hydride;1,1,2,2,2-pentafluoroethanesulfonic acid
CID 173036129
dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)
CID 153294032
1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane
CID 59409367
potassium 1,1,2,2,2-pentafluoroethanesulfonate
CID 23666373
lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 173034743
azane;trifluoromethanesulfonyl chloride
CID 87630754
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-2-sulfonic acid
CID 87186932
lithium;hydride;bis(1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide)
CID 173065488
1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride
CID 89346686
sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
CID 87423860

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane (CID 22105014) is 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane is O=S(=O)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane?
The InChIKey is AQXZCGKOCSKMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F12O2S/c6-1(2(7,8)9,3(10,11)12)20(18,19)5(16,17)4(13,14)15.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane?
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane has a molecular weight of 352.10 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane is sourced from PubChem (CID 22105014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).