5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane

C10H21F2NO — CID 176568455

IUPAC5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane
SMILESCC.COCC1CCC(F)(F)CN1C
InChIInChI=1S/C8H15F2NO.C2H6/c1-11-6-8(9,10)4-3-7(11)5-12-2;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyYLWXVPVGZBDOOS-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.39
Rot. Bonds2

About 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane

5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane (PubChem CID 176568455) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane.

Molecular Properties

Compound Name5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane
PubChem CID176568455
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane
SMILESCC.COCC1CCC(F)(F)CN1C
InChIInChI=1S/C8H15F2NO.C2H6/c1-11-6-8(9,10)4-3-7(11)5-12-2;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyYLWXVPVGZBDOOS-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3064706
4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine
CID 58035393
4,4-Difluoro-3-methoxy-1-propan-2-ylpiperidine
CID 58110410
4-[2-(2,2-Difluoropropoxy)cyclohexyl]morpholine
CID 58341559
1-[2-(2,2-Difluoropropoxy)cyclohexyl]piperidine
CID 58341563
4-[6-(2,2-Difluoropropoxy)hexyl]morpholine
CID 58341567
4-[8-(2,2-Difluoropropoxy)octyl]morpholine
CID 58341579
1-[2-(2,2,3,3,4,4,5,5-Octafluoropentoxy)ethyl]piperidine
CID 59204081
1-Methyl-6-(trifluoromethoxymethyl)piperidine-2-thione
CID 91511854
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CID 124195135

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane?
The IUPAC name of 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane (CID 176568455) is 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane.
What is the SMILES notation for 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane?
The canonical SMILES for 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane is CC.COCC1CCC(F)(F)CN1C.
What is the InChIKey of 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane?
The InChIKey is YLWXVPVGZBDOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO.C2H6/c1-11-6-8(9,10)4-3-7(11)5-12-2;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane?
5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane has a molecular weight of 209.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-(methoxymethyl)-1-methylpiperidine;ethane is sourced from PubChem (CID 176568455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).