3-(difluoromethoxy)-1-ethylpiperidine

C8H15F2NO — CID 130226338

IUPAC3-(difluoromethoxy)-1-ethylpiperidine
SMILESCCN1CCCC(OC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-2-11-5-3-4-7(6-11)12-8(9)10/h7-8H,2-6H2,1H3
InChIKeyKXBXNYUKNQQMCU-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.71
Rot. Bonds3

About 3-(difluoromethoxy)-1-ethylpiperidine

3-(difluoromethoxy)-1-ethylpiperidine (PubChem CID 130226338) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-ethylpiperidine.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-ethylpiperidine
PubChem CID130226338
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3-(difluoromethoxy)-1-ethylpiperidine
SMILESCCN1CCCC(OC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-2-11-5-3-4-7(6-11)12-8(9)10/h7-8H,2-6H2,1H3
InChIKeyKXBXNYUKNQQMCU-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-ethylpiperidine?
The IUPAC name of 3-(difluoromethoxy)-1-ethylpiperidine (CID 130226338) is 3-(difluoromethoxy)-1-ethylpiperidine.
What is the SMILES notation for 3-(difluoromethoxy)-1-ethylpiperidine?
The canonical SMILES for 3-(difluoromethoxy)-1-ethylpiperidine is CCN1CCCC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)-1-ethylpiperidine?
The InChIKey is KXBXNYUKNQQMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-2-11-5-3-4-7(6-11)12-8(9)10/h7-8H,2-6H2,1H3.
What are the key properties of 3-(difluoromethoxy)-1-ethylpiperidine?
3-(difluoromethoxy)-1-ethylpiperidine has a molecular weight of 179.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-ethylpiperidine is sourced from PubChem (CID 130226338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).