1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane

C8H11F4O6S3- — CID 59584386

IUPAC1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane
SMILESCS(=O)(=O)[C-](S(=O)(=O)C1CCC(F)C1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H11F4O6S3/c1-19(13,14)7(21(17,18)8(10,11)12)20(15,16)6-3-2-5(9)4-6/h5-6H,2-4H2,1H3/q-1
InChIKeyRZOWMTKPAKJNAX-UHFFFAOYSA-N
MW375.36 g/mol
LogP0.72
Rot. Bonds4

About 1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane

1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane (PubChem CID 59584386) has the molecular formula C8H11F4O6S3- and a molecular weight of 375.36 g/mol. Its IUPAC name is 1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane.

Molecular Properties

Compound Name1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane
PubChem CID59584386
Molecular FormulaC8H11F4O6S3-
Molecular Weight375.36 g/mol
Exact Mass374.97
IUPAC Name1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane
SMILESCS(=O)(=O)[C-](S(=O)(=O)C1CCC(F)C1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H11F4O6S3/c1-19(13,14)7(21(17,18)8(10,11)12)20(15,16)6-3-2-5(9)4-6/h5-6H,2-4H2,1H3/q-1
InChIKeyRZOWMTKPAKJNAX-UHFFFAOYSA-N
XLogP0.72
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,1-Bis(trifluoromethylsulfonyl)propane
CID 53834884
1,1,1,2,2,3,3-Heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutylsulfonylmethylsulfonyl)butane
CID 20471426
1,1-Bis(trifluoromethylsulfonyl)octane
CID 23237357
1-[Bis(trifluoromethylsulfonyl)methylsulfonyl]dodecane
CID 59207634
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
1,2,3,4,5-Pentafluoro-6-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclohexane
CID 59584298
1,1,1,4,4,4-Hexafluoro-2-[trifluoromethylsulfonyl(3,3,3-trifluoropropylsulfonyl)methyl]sulfonylbutane
CID 59584328
CID 59584374
CID 59584374

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane?
The IUPAC name of 1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane (CID 59584386) is 1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane.
What is the SMILES notation for 1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane?
The canonical SMILES for 1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane is CS(=O)(=O)[C-](S(=O)(=O)C1CCC(F)C1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane?
The InChIKey is RZOWMTKPAKJNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4O6S3/c1-19(13,14)7(21(17,18)8(10,11)12)20(15,16)6-3-2-5(9)4-6/h5-6H,2-4H2,1H3/q-1.
What are the key properties of 1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane?
1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane has a molecular weight of 375.36 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylcyclopentane is sourced from PubChem (CID 59584386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).