3-(difluoromethoxymethyl)-1-ethylpiperidine

C9H17F2NO — CID 130226795

IUPAC3-(difluoromethoxymethyl)-1-ethylpiperidine
SMILESCCN1CCCC(COC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-2-12-5-3-4-8(6-12)7-13-9(10)11/h8-9H,2-7H2,1H3
InChIKeyYRUCFKQHYULCOY-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.96
Rot. Bonds4

About 3-(difluoromethoxymethyl)-1-ethylpiperidine

3-(difluoromethoxymethyl)-1-ethylpiperidine (PubChem CID 130226795) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-1-ethylpiperidine.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-1-ethylpiperidine
PubChem CID130226795
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-(difluoromethoxymethyl)-1-ethylpiperidine
SMILESCCN1CCCC(COC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-2-12-5-3-4-8(6-12)7-13-9(10)11/h8-9H,2-7H2,1H3
InChIKeyYRUCFKQHYULCOY-UHFFFAOYSA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-1-ethylpiperidine?
The IUPAC name of 3-(difluoromethoxymethyl)-1-ethylpiperidine (CID 130226795) is 3-(difluoromethoxymethyl)-1-ethylpiperidine.
What is the SMILES notation for 3-(difluoromethoxymethyl)-1-ethylpiperidine?
The canonical SMILES for 3-(difluoromethoxymethyl)-1-ethylpiperidine is CCN1CCCC(COC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxymethyl)-1-ethylpiperidine?
The InChIKey is YRUCFKQHYULCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-2-12-5-3-4-8(6-12)7-13-9(10)11/h8-9H,2-7H2,1H3.
What are the key properties of 3-(difluoromethoxymethyl)-1-ethylpiperidine?
3-(difluoromethoxymethyl)-1-ethylpiperidine has a molecular weight of 193.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-1-ethylpiperidine is sourced from PubChem (CID 130226795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).