1-methyl-3-(trifluoromethoxymethyl)piperidine

C8H14F3NO — CID 122664383

IUPAC1-methyl-3-(trifluoromethoxymethyl)piperidine
SMILESCN1CCCC(COC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-12-4-2-3-7(5-12)6-13-8(9,10)11/h7H,2-6H2,1H3
InChIKeyUDBQRMFRMMZICH-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.86
Rot. Bonds2

About 1-methyl-3-(trifluoromethoxymethyl)piperidine

1-methyl-3-(trifluoromethoxymethyl)piperidine (PubChem CID 122664383) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethoxymethyl)piperidine.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethoxymethyl)piperidine
PubChem CID122664383
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-methyl-3-(trifluoromethoxymethyl)piperidine
SMILESCN1CCCC(COC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-12-4-2-3-7(5-12)6-13-8(9,10)11/h7H,2-6H2,1H3
InChIKeyUDBQRMFRMMZICH-UHFFFAOYSA-N
XLogP1.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethoxymethyl)piperidine?
The IUPAC name of 1-methyl-3-(trifluoromethoxymethyl)piperidine (CID 122664383) is 1-methyl-3-(trifluoromethoxymethyl)piperidine.
What is the SMILES notation for 1-methyl-3-(trifluoromethoxymethyl)piperidine?
The canonical SMILES for 1-methyl-3-(trifluoromethoxymethyl)piperidine is CN1CCCC(COC(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(trifluoromethoxymethyl)piperidine?
The InChIKey is UDBQRMFRMMZICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-4-2-3-7(5-12)6-13-8(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethoxymethyl)piperidine?
1-methyl-3-(trifluoromethoxymethyl)piperidine has a molecular weight of 197.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethoxymethyl)piperidine is sourced from PubChem (CID 122664383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).