1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane

C9H7F10O4S2- — CID 59584282

IUPAC1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane
SMILESO=S(=O)([C-](CC(F)(F)F)S(=O)(=O)C(F)(F)F)C1C(F)C(F)C(F)C1F
InChIInChI=1S/C9H7F10O4S2/c10-3-4(11)6(13)7(5(3)12)24(20,21)2(1-8(14,15)16)25(22,23)9(17,18)19/h3-7H,1H2/q-1
InChIKeyWKDOHNHWCGUUKO-UHFFFAOYSA-N
MW433.27 g/mol
LogP2.51
Rot. Bonds4

About 1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane

1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane (PubChem CID 59584282) has the molecular formula C9H7F10O4S2- and a molecular weight of 433.27 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane
PubChem CID59584282
Molecular FormulaC9H7F10O4S2-
Molecular Weight433.27 g/mol
Exact Mass432.96
IUPAC Name1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane
SMILESO=S(=O)([C-](CC(F)(F)F)S(=O)(=O)C(F)(F)F)C1C(F)C(F)C(F)C1F
InChIInChI=1S/C9H7F10O4S2/c10-3-4(11)6(13)7(5(3)12)24(20,21)2(1-8(14,15)16)25(22,23)9(17,18)19/h3-7H,1H2/q-1
InChIKeyWKDOHNHWCGUUKO-UHFFFAOYSA-N
XLogP2.51
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-Difluoro-3,3-bis(trifluoromethylsulfonyl)propane
CID 139244924
1,1,3-Tris(trifluoromethylsulfonyl)propane
CID 139244926
1,1,1-Trifluoro-4,4-bis(trifluoromethylsulfonyl)butane
CID 139244934
3-Fluoro-1,1-bis(trifluoromethylsulfonyl)propane
CID 139244935
1,1,1,2,2,3,3-Heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutylsulfonylmethylsulfonyl)butane
CID 20471426
1,1,1,2,2,3,3,4,4-Nonafluoro-4-[1,1,2,2,4,4,4-heptafluorobutylsulfonyl(2,2,3,3,4,4,4-heptafluorobutylsulfonyl)methyl]sulfonylbutane
CID 59409389
1,1,1,2,2,3,3,4,4-Nonafluoro-4-[2,2,3,3,4,4,4-heptafluorobutylsulfonyl(2,2,4,4,4-pentafluorobutylsulfonyl)methyl]sulfonylbutane
CID 59409396
1,2,3,4-Tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane
CID 59584260
1,1,1,4,4,4-Hexafluoro-2-[trifluoromethylsulfonyl(3,3,3-trifluoropropylsulfonyl)methyl]sulfonylbutane
CID 59584328
1-Fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane
CID 59584386
1-[Bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane
CID 59584388
3-Fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide
CID 71111716

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane?
The IUPAC name of 1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane (CID 59584282) is 1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane.
What is the SMILES notation for 1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane?
The canonical SMILES for 1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane is O=S(=O)([C-](CC(F)(F)F)S(=O)(=O)C(F)(F)F)C1C(F)C(F)C(F)C1F.
What is the InChIKey of 1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane?
The InChIKey is WKDOHNHWCGUUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F10O4S2/c10-3-4(11)6(13)7(5(3)12)24(20,21)2(1-8(14,15)16)25(22,23)9(17,18)19/h3-7H,1H2/q-1.
What are the key properties of 1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane?
1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane has a molecular weight of 433.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane is sourced from PubChem (CID 59584282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).