1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane

C8H8F7O6S3- — CID 59584388

IUPAC1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane
SMILESO=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C1CCC(F)C1
InChIInChI=1S/C8H8F7O6S3/c9-4-1-2-5(3-4)22(16,17)6(23(18,19)7(10,11)12)24(20,21)8(13,14)15/h4-5H,1-3H2/q-1
InChIKeyYFUREBSEZSIICS-UHFFFAOYSA-N
MW429.33 g/mol
LogP1.61
Rot. Bonds4

About 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane

1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane (PubChem CID 59584388) has the molecular formula C8H8F7O6S3- and a molecular weight of 429.33 g/mol. Its IUPAC name is 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane.

Molecular Properties

Compound Name1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane
PubChem CID59584388
Molecular FormulaC8H8F7O6S3-
Molecular Weight429.33 g/mol
Exact Mass428.94
IUPAC Name1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane
SMILESO=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C1CCC(F)C1
InChIInChI=1S/C8H8F7O6S3/c9-4-1-2-5(3-4)22(16,17)6(23(18,19)7(10,11)12)24(20,21)8(13,14)15/h4-5H,1-3H2/q-1
InChIKeyYFUREBSEZSIICS-UHFFFAOYSA-N
XLogP1.61
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 51.61
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-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
Trifluoromethylsulfonylcyclopentane
CID 23563933
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-[Bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclohexane
CID 59584230
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

Frequently Asked Questions

What is the IUPAC name of 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane?
The IUPAC name of 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane (CID 59584388) is 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane.
What is the SMILES notation for 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane?
The canonical SMILES for 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane is O=S(=O)([C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C1CCC(F)C1.
What is the InChIKey of 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane?
The InChIKey is YFUREBSEZSIICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7O6S3/c9-4-1-2-5(3-4)22(16,17)6(23(18,19)7(10,11)12)24(20,21)8(13,14)15/h4-5H,1-3H2/q-1.
What are the key properties of 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane?
1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane has a molecular weight of 429.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane is sourced from PubChem (CID 59584388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).