1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine

C9H16F3NO — CID 154187285

IUPAC1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine
SMILESCN1CCCC(COCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-13-4-2-3-8(5-13)6-14-7-9(10,11)12/h8H,2-7H2,1H3
InChIKeyCPFLZVNUHORYAG-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.91
Rot. Bonds3

About 1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine

1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine (PubChem CID 154187285) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine.

Molecular Properties

Compound Name1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine
PubChem CID154187285
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine
SMILESCN1CCCC(COCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-13-4-2-3-8(5-13)6-14-7-9(10,11)12/h8H,2-7H2,1H3
InChIKeyCPFLZVNUHORYAG-UHFFFAOYSA-N
XLogP1.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine?
The IUPAC name of 1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine (CID 154187285) is 1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine.
What is the SMILES notation for 1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine?
The canonical SMILES for 1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine is CN1CCCC(COCC(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine?
The InChIKey is CPFLZVNUHORYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-4-2-3-8(5-13)6-14-7-9(10,11)12/h8H,2-7H2,1H3.
What are the key properties of 1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine?
1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine has a molecular weight of 211.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,2-trifluoroethoxymethyl)piperidine is sourced from PubChem (CID 154187285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).