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

C9H8F10O4S2 — CID 59584283

IUPAC1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane
SMILESO=S(=O)(C1C(F)C(F)C(F)C1F)C(CC(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H8F10O4S2/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/h2-7H,1H2
InChIKeyJVRXHFRFKUYYLV-UHFFFAOYSA-N
MW434.27 g/mol
LogP2.35
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 59584283) has the molecular formula C9H8F10O4S2 and a molecular weight of 434.27 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 CID59584283
Molecular FormulaC9H8F10O4S2
Molecular Weight434.27 g/mol
Exact Mass433.97
IUPAC Name1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane
SMILESO=S(=O)(C1C(F)C(F)C(F)C1F)C(CC(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H8F10O4S2/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/h2-7H,1H2
InChIKeyJVRXHFRFKUYYLV-UHFFFAOYSA-N
XLogP2.35
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
CID 59584253
CID 59584253
1,2,3,4-Tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane
CID 59584260
1,2,3,4-Tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane
CID 59584282
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
1,1-Bis(trifluoromethylsulfonyl)pentane
CID 87352657
2,2,3,3-Tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide
CID 87527670
1,1,1,5,5,5-Hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-ylsulfonyl)pentane
CID 87623489

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 59584283) 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)(C1C(F)C(F)C(F)C1F)C(CC(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,2,3,4-tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane?
The InChIKey is JVRXHFRFKUYYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F10O4S2/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/h2-7H,1H2.
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 434.27 g/mol, XLogP of 2.35, 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 59584283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).