1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine

C10H13F8NO3S — CID 88916700

IUPAC1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H13F8NO3S/c1-7(11,12)8(13,14)22-9(15,16)10(17,18)23(20,21)19-5-3-2-4-6-19/h2-6H2,1H3
InChIKeyVXPVJMNLKAMVPL-UHFFFAOYSA-N
MW379.27 g/mol
LogP3.25
Rot. Bonds6

About 1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine

1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine (PubChem CID 88916700) has the molecular formula C10H13F8NO3S and a molecular weight of 379.27 g/mol. Its IUPAC name is 1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine
PubChem CID88916700
Molecular FormulaC10H13F8NO3S
Molecular Weight379.27 g/mol
Exact Mass379.05
IUPAC Name1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H13F8NO3S/c1-7(11,12)8(13,14)22-9(15,16)10(17,18)23(20,21)19-5-3-2-4-6-19/h2-6H2,1H3
InChIKeyVXPVJMNLKAMVPL-UHFFFAOYSA-N
XLogP3.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)piperidine
CID 58108244
1-[1,1-Difluoroethoxy(difluoro)methyl]sulfonylpiperidine
CID 58122698
1-(1,1-Difluoroethylsulfonyl)piperidine
CID 58122750
1-(2,2-Difluoropropylsulfonyl)piperidine
CID 58122780
1-(1,1-Difluoroethoxymethylsulfonyl)piperidine
CID 58122787
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine
CID 58240386
1,1,2,2,3,3-hexafluoro-N-methyl-3-piperidin-1-ylsulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 58240456
1-(1,1,2,2,3,3-Hexafluoropentylsulfonyl)piperidine
CID 58291401
1-(1,1-Difluoroprop-1-en-2-ylsulfonyl)piperidine
CID 58291402
1-(1,1,2,2,3,3-Hexafluoro-3-methoxyperoxysulfanylpropyl)sulfonylpiperidine
CID 58997826
1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate
CID 59217481
(1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite
CID 59611900

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine?
The IUPAC name of 1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine (CID 88916700) is 1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine.
What is the SMILES notation for 1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine?
The canonical SMILES for 1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine is CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine?
The InChIKey is VXPVJMNLKAMVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F8NO3S/c1-7(11,12)8(13,14)22-9(15,16)10(17,18)23(20,21)19-5-3-2-4-6-19/h2-6H2,1H3.
What are the key properties of 1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine?
1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine has a molecular weight of 379.27 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine is sourced from PubChem (CID 88916700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).