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

C9H10F7O4S2- — CID 59584260

IUPAC1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane
SMILESCC[C-](S(=O)(=O)C1C(F)C(F)C(F)C1F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H10F7O4S2/c1-2-3(22(19,20)9(14,15)16)21(17,18)8-6(12)4(10)5(11)7(8)13/h4-8H,2H2,1H3/q-1
InChIKeyYMJXUTVAKROOHB-UHFFFAOYSA-N
MW379.30 g/mol
LogP1.97
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 59584260) has the molecular formula C9H10F7O4S2- and a molecular weight of 379.30 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 CID59584260
Molecular FormulaC9H10F7O4S2-
Molecular Weight379.30 g/mol
Exact Mass378.99
IUPAC Name1,2,3,4-tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane
SMILESCC[C-](S(=O)(=O)C1C(F)C(F)C(F)C1F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H10F7O4S2/c1-2-3(22(19,20)9(14,15)16)21(17,18)8-6(12)4(10)5(11)7(8)13/h4-8H,2H2,1H3/q-1
InChIKeyYMJXUTVAKROOHB-UHFFFAOYSA-N
XLogP1.97
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 51.97
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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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 59584260) 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 CC[C-](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 YMJXUTVAKROOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F7O4S2/c1-2-3(22(19,20)9(14,15)16)21(17,18)8-6(12)4(10)5(11)7(8)13/h4-8H,2H2,1H3/q-1.
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 379.30 g/mol, XLogP of 1.97, 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 59584260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).