1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine

C8H13F4NO — CID 18725554

IUPAC1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine
SMILESCOC(F)(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C8H13F4NO/c1-14-8(11,12)7(9,10)13-5-3-2-4-6-13/h2-6H2,1H3
InChIKeyBFENTILIYUDKCP-UHFFFAOYSA-N
MW215.19 g/mol
LogP2.30
Rot. Bonds3

About 1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine

1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine (PubChem CID 18725554) has the molecular formula C8H13F4NO and a molecular weight of 215.19 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine
PubChem CID18725554
Molecular FormulaC8H13F4NO
Molecular Weight215.19 g/mol
Exact Mass215.09
IUPAC Name1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine
SMILESCOC(F)(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C8H13F4NO/c1-14-8(11,12)7(9,10)13-5-3-2-4-6-13/h2-6H2,1H3
InChIKeyBFENTILIYUDKCP-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine?
The IUPAC name of 1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine (CID 18725554) is 1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine?
The canonical SMILES for 1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine is COC(F)(F)C(F)(F)N1CCCCC1.
What is the InChIKey of 1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine?
The InChIKey is BFENTILIYUDKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO/c1-14-8(11,12)7(9,10)13-5-3-2-4-6-13/h2-6H2,1H3.
What are the key properties of 1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine?
1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine has a molecular weight of 215.19 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoro-2-methoxyethyl)piperidine is sourced from PubChem (CID 18725554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).