2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

C13H23F2NO2 — CID 114127488

IUPAC2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESFC(F)COCCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C13H23F2NO2/c14-12(15)10-17-8-7-16-9-11-3-6-13(18-11)4-1-2-5-13/h11-12,16H,1-10H2
InChIKeyYCEPPIKITDPSHV-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.35
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (PubChem CID 114127488) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
PubChem CID114127488
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESFC(F)COCCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C13H23F2NO2/c14-12(15)10-17-8-7-16-9-11-3-6-13(18-11)4-1-2-5-13/h11-12,16H,1-10H2
InChIKeyYCEPPIKITDPSHV-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine
CID 62725213
4,4,4-trifluoro-N-methyl-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174783
N-ethyl-4,4,4-trifluoro-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174801
4,4,4-trifluoro-1-(2-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 80175005
2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102896747
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897298
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897299
2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897655
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656
4,4,4-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102897658

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (CID 114127488) is 2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is FC(F)COCCNCC1CCC2(CCCC2)O1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The InChIKey is YCEPPIKITDPSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c14-12(15)10-17-8-7-16-9-11-3-6-13(18-11)4-1-2-5-13/h11-12,16H,1-10H2.
What are the key properties of 2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine has a molecular weight of 263.33 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is sourced from PubChem (CID 114127488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).