1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride

C3F8O4S2 — CID 11130879

IUPAC1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C3F8O4S2/c4-1(5,2(6,7)16(10,12)13)3(8,9)17(11,14)15
InChIKeyJHHBILFKAVPGAP-UHFFFAOYSA-N
MW316.15 g/mol
LogP1.41
Rot. Bonds4

About 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride

1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride (PubChem CID 11130879) has the molecular formula C3F8O4S2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride
PubChem CID11130879
Molecular FormulaC3F8O4S2
Molecular Weight316.15 g/mol
Exact Mass315.91
IUPAC Name1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C3F8O4S2/c4-1(5,2(6,7)16(10,12)13)3(8,9)17(11,14)15
InChIKeyJHHBILFKAVPGAP-UHFFFAOYSA-N
XLogP1.41
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Perfluoro-1-butanesulfonyl fluoride
CID 67814
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic anhydride
CID 4281883
Ethanesulfonyl fluoride, 1,1,2,2,2-pentafluoro-
CID 6451567
Perfluoro-3-(pentafluoro-lambda6-sulfanyl)-1-propanesulfonic acid
CID 139595495
3,3-Bis(trifluoromethyl)-1,2,4-oxadithietane 2,2,4,4-tetraoxide
CID 129663670
Tetrafluoroethane-1,2-disulfonic acid difluoride
CID 10923456
Perfluoro-2-propanesulfonyl fluoride
CID 13721944
1,1,2,2,3,3,4,4-Octafluoro-1,4-butanedisulfonyl difluoride
CID 14384436
2,2-Difluoroethene-1,1-disulfonyl fluoride
CID 12557630
1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl Chloride
CID 10926127
Pentafluoroethanesulfonic anhydride
CID 12694826
Heptafluoropropane-1-sulfonyl fluoride
CID 13721943

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride?
The IUPAC name of 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride (CID 11130879) is 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride?
The canonical SMILES for 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride?
The InChIKey is JHHBILFKAVPGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F8O4S2/c4-1(5,2(6,7)16(10,12)13)3(8,9)17(11,14)15.
What are the key properties of 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride?
1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride has a molecular weight of 316.15 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl fluoride is sourced from PubChem (CID 11130879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).