1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine

C10H17F4NO3S — CID 88916711

IUPAC1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine
SMILESCC(F)(F)C(F)(F)OCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H17F4NO3S/c1-9(11,12)10(13,14)18-7-8-19(16,17)15-5-3-2-4-6-15/h2-8H2,1H3
InChIKeyNNKRIQAQZKWHOT-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.07
Rot. Bonds6

About 1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine

1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine (PubChem CID 88916711) has the molecular formula C10H17F4NO3S and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine.

Molecular Properties

Compound Name1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine
PubChem CID88916711
Molecular FormulaC10H17F4NO3S
Molecular Weight307.31 g/mol
Exact Mass307.09
IUPAC Name1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine
SMILESCC(F)(F)C(F)(F)OCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H17F4NO3S/c1-9(11,12)10(13,14)18-7-8-19(16,17)15-5-3-2-4-6-15/h2-8H2,1H3
InChIKeyNNKRIQAQZKWHOT-UHFFFAOYSA-N
XLogP2.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine?
The IUPAC name of 1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine (CID 88916711) is 1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine.
What is the SMILES notation for 1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine?
The canonical SMILES for 1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine is CC(F)(F)C(F)(F)OCCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine?
The InChIKey is NNKRIQAQZKWHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO3S/c1-9(11,12)10(13,14)18-7-8-19(16,17)15-5-3-2-4-6-15/h2-8H2,1H3.
What are the key properties of 1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine?
1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine has a molecular weight of 307.31 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1,2,2-tetrafluoropropoxy)ethylsulfonyl]piperidine is sourced from PubChem (CID 88916711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).