2-(ethoxymethyl)-5,5-difluoropiperidine

C8H15F2NO — CID 176568566

IUPAC2-(ethoxymethyl)-5,5-difluoropiperidine
SMILESCCOCC1CCC(F)(F)CN1
InChIInChI=1S/C8H15F2NO/c1-2-12-5-7-3-4-8(9,10)6-11-7/h7,11H,2-6H2,1H3
InChIKeyJNJROSWPKADVQG-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds3

About 2-(ethoxymethyl)-5,5-difluoropiperidine

2-(ethoxymethyl)-5,5-difluoropiperidine (PubChem CID 176568566) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5,5-difluoropiperidine.

Molecular Properties

Compound Name2-(ethoxymethyl)-5,5-difluoropiperidine
PubChem CID176568566
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-(ethoxymethyl)-5,5-difluoropiperidine
SMILESCCOCC1CCC(F)(F)CN1
InChIInChI=1S/C8H15F2NO/c1-2-12-5-7-3-4-8(9,10)6-11-7/h7,11H,2-6H2,1H3
InChIKeyJNJROSWPKADVQG-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,2-trifluoroethyl)oxan-3-amine
CID 63363393
2-(Methoxymethyl)piperidine
CID 4090648
3-(1,1-Difluoroethyl)morpholine
CID 83853727
3-(3,3-Difluorocyclobutyl)morpholine
CID 138987337
3-(3,3,3-Trifluoropropyl)morpholine hydrochloride
CID 145874277
(2R)-2-[(tert-Butoxy)methyl]piperidine
CID 10654754
4,4-difluoro-2-methoxy-N-methylcyclohexan-1-amine
CID 90260558
2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine
CID 142607542
Methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium
CID 155624937
2-Ethyl-3-fluoro-5-methoxypiperidine
CID 167076426
(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine
CID 169190965
N-(4,4-difluorocyclohexyl)oxan-3-amine
CID 169190982

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5,5-difluoropiperidine?
The IUPAC name of 2-(ethoxymethyl)-5,5-difluoropiperidine (CID 176568566) is 2-(ethoxymethyl)-5,5-difluoropiperidine.
What is the SMILES notation for 2-(ethoxymethyl)-5,5-difluoropiperidine?
The canonical SMILES for 2-(ethoxymethyl)-5,5-difluoropiperidine is CCOCC1CCC(F)(F)CN1.
What is the InChIKey of 2-(ethoxymethyl)-5,5-difluoropiperidine?
The InChIKey is JNJROSWPKADVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-2-12-5-7-3-4-8(9,10)6-11-7/h7,11H,2-6H2,1H3.
What are the key properties of 2-(ethoxymethyl)-5,5-difluoropiperidine?
2-(ethoxymethyl)-5,5-difluoropiperidine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5,5-difluoropiperidine is sourced from PubChem (CID 176568566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).