1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane

C9H11F7O4S2 — CID 59584261

IUPAC1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane
SMILESCCC(S(=O)(=O)C1C(F)C(F)C(F)C1F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H11F7O4S2/c1-2-3(22(19,20)9(14,15)16)21(17,18)8-6(12)4(10)5(11)7(8)13/h3-8H,2H2,1H3
InChIKeyLAAZBEIVMUWPLK-UHFFFAOYSA-N
MW380.30 g/mol
LogP1.81
Rot. Bonds4

About 1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane

1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane (PubChem CID 59584261) has the molecular formula C9H11F7O4S2 and a molecular weight of 380.30 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane
PubChem CID59584261
Molecular FormulaC9H11F7O4S2
Molecular Weight380.30 g/mol
Exact Mass380.00
IUPAC Name1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane
SMILESCCC(S(=O)(=O)C1C(F)C(F)C(F)C1F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H11F7O4S2/c1-2-3(22(19,20)9(14,15)16)21(17,18)8-6(12)4(10)5(11)7(8)13/h3-8H,2H2,1H3
InChIKeyLAAZBEIVMUWPLK-UHFFFAOYSA-N
XLogP1.81
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Butylsulfonyl-1,1,1,2,2-pentafluoropentane
CID 17869462
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
1,2,3,4,5-Pentafluoro-6-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclohexane
CID 59584298
CID 59584374
CID 59584374
1-Fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane
CID 59584386
1-[Bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane
CID 59584388
Bis(trifluoromethyl) hexylsulfonylmethanedisulfonate
CID 59872382
1,1-Bis(trifluoromethylsulfonyl)pentane
CID 87352657
1,3-Bis(trifluoromethylsulfonyl)pentane
CID 87462805
1,1,1,2,2-Pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-ylsulfonyl)pentane
CID 87624287

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane?
The IUPAC name of 1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane (CID 59584261) is 1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane.
What is the SMILES notation for 1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane?
The canonical SMILES for 1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane is CCC(S(=O)(=O)C1C(F)C(F)C(F)C1F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane?
The InChIKey is LAAZBEIVMUWPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7O4S2/c1-2-3(22(19,20)9(14,15)16)21(17,18)8-6(12)4(10)5(11)7(8)13/h3-8H,2H2,1H3.
What are the key properties of 1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane?
1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane has a molecular weight of 380.30 g/mol, XLogP of 1.81, 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-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane is sourced from PubChem (CID 59584261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).