4-(2,2,2-trifluoro-1-methoxyethyl)piperidine

C8H14F3NO — CID 58450384

IUPAC4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
SMILESCOC(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-13-7(8(9,10)11)6-2-4-12-5-3-6/h6-7,12H,2-5H2,1H3
InChIKeyXLFPWKYWUBABIA-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.56
Rot. Bonds2

About 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine

4-(2,2,2-trifluoro-1-methoxyethyl)piperidine (PubChem CID 58450384) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine.

Molecular Properties

Compound Name4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
PubChem CID58450384
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
SMILESCOC(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-13-7(8(9,10)11)6-2-4-12-5-3-6/h6-7,12H,2-5H2,1H3
InChIKeyXLFPWKYWUBABIA-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
The IUPAC name of 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine (CID 58450384) is 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine.
What is the SMILES notation for 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
The canonical SMILES for 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine is COC(C1CCNCC1)C(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
The InChIKey is XLFPWKYWUBABIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-13-7(8(9,10)11)6-2-4-12-5-3-6/h6-7,12H,2-5H2,1H3.
What are the key properties of 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
4-(2,2,2-trifluoro-1-methoxyethyl)piperidine has a molecular weight of 197.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine is sourced from PubChem (CID 58450384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).