1-[ethoxy(difluoro)methyl]piperidine

C8H15F2NO — CID 18721519

IUPAC1-[ethoxy(difluoro)methyl]piperidine
SMILESCCOC(F)(F)N1CCCCC1
InChIInChI=1S/C8H15F2NO/c1-2-12-8(9,10)11-6-4-3-5-7-11/h2-7H2,1H3
InChIKeyUUQZNWXCJVIJRG-UHFFFAOYSA-N
MW179.21 g/mol
LogP2.06
Rot. Bonds3

About 1-[ethoxy(difluoro)methyl]piperidine

1-[ethoxy(difluoro)methyl]piperidine (PubChem CID 18721519) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-[ethoxy(difluoro)methyl]piperidine.

Molecular Properties

Compound Name1-[ethoxy(difluoro)methyl]piperidine
PubChem CID18721519
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-[ethoxy(difluoro)methyl]piperidine
SMILESCCOC(F)(F)N1CCCCC1
InChIInChI=1S/C8H15F2NO/c1-2-12-8(9,10)11-6-4-3-5-7-11/h2-7H2,1H3
InChIKeyUUQZNWXCJVIJRG-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine
CID 174841489
1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine
CID 140998804
2-methyl-2-piperidin-1-ylbutanenitrile
CID 43802933
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine
CID 155467667
3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol
CID 129311438
1-(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine
CID 18725559
ethyl azacycloundecane-1-carboxylate
CID 67670496
1-(3-ethylhexan-3-yl)piperidine
CID 156519232
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
2-(azocan-1-yl)-2-methylbutan-1-amine
CID 43211839

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(difluoro)methyl]piperidine?
The IUPAC name of 1-[ethoxy(difluoro)methyl]piperidine (CID 18721519) is 1-[ethoxy(difluoro)methyl]piperidine.
What is the SMILES notation for 1-[ethoxy(difluoro)methyl]piperidine?
The canonical SMILES for 1-[ethoxy(difluoro)methyl]piperidine is CCOC(F)(F)N1CCCCC1.
What is the InChIKey of 1-[ethoxy(difluoro)methyl]piperidine?
The InChIKey is UUQZNWXCJVIJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-2-12-8(9,10)11-6-4-3-5-7-11/h2-7H2,1H3.
What are the key properties of 1-[ethoxy(difluoro)methyl]piperidine?
1-[ethoxy(difluoro)methyl]piperidine has a molecular weight of 179.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(difluoro)methyl]piperidine is sourced from PubChem (CID 18721519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).