trifluoromethylsulfonylcyclopentane

C6H9F3O2S — CID 23563933

IUPACtrifluoromethylsulfonylcyclopentane
SMILESO=S(=O)(C1CCCC1)C(F)(F)F
InChIInChI=1S/C6H9F3O2S/c7-6(8,9)12(10,11)5-3-1-2-4-5/h5H,1-4H2
InChIKeyJITVZVDPRGWLNU-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.86
Rot. Bonds1

About trifluoromethylsulfonylcyclopentane

trifluoromethylsulfonylcyclopentane (PubChem CID 23563933) has the molecular formula C6H9F3O2S and a molecular weight of 202.20 g/mol. Its IUPAC name is trifluoromethylsulfonylcyclopentane.

Molecular Properties

Compound Nametrifluoromethylsulfonylcyclopentane
PubChem CID23563933
Molecular FormulaC6H9F3O2S
Molecular Weight202.20 g/mol
Exact Mass202.03
IUPAC Nametrifluoromethylsulfonylcyclopentane
SMILESO=S(=O)(C1CCCC1)C(F)(F)F
InChIInChI=1S/C6H9F3O2S/c7-6(8,9)12(10,11)5-3-1-2-4-5/h5H,1-4H2
InChIKeyJITVZVDPRGWLNU-UHFFFAOYSA-N
XLogP1.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trifluoromethylsulfonylcyclopentane?
The IUPAC name of trifluoromethylsulfonylcyclopentane (CID 23563933) is trifluoromethylsulfonylcyclopentane.
What is the SMILES notation for trifluoromethylsulfonylcyclopentane?
The canonical SMILES for trifluoromethylsulfonylcyclopentane is O=S(=O)(C1CCCC1)C(F)(F)F.
What is the InChIKey of trifluoromethylsulfonylcyclopentane?
The InChIKey is JITVZVDPRGWLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2S/c7-6(8,9)12(10,11)5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of trifluoromethylsulfonylcyclopentane?
trifluoromethylsulfonylcyclopentane has a molecular weight of 202.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfonylcyclopentane is sourced from PubChem (CID 23563933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).