N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine

C13H22F3NO2 — CID 79903198

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine
SMILESFC(F)(F)COCCNC1CCOC2(CCCC2)C1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-18-8-6-17-11-3-7-19-12(9-11)4-1-2-5-12/h11,17H,1-10H2
InChIKeyOKONQWBZUGGJNV-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.65
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79903198) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine
PubChem CID79903198
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine
SMILESFC(F)(F)COCCNC1CCOC2(CCCC2)C1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-18-8-6-17-11-3-7-19-12(9-11)4-1-2-5-12/h11,17H,1-10H2
InChIKeyOKONQWBZUGGJNV-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.65
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-N-(4,4-difluoro-6-oxaspiro[4.5]decan-9-yl)-5-oxaspiro[3.4]octane-2,7-diamine
CID 169889210
2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102494
2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102729
2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102732
2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102914
2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106293
3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.4]octan-1-amine
CID 64865232
N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897879
N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine
CID 79897957
N-(2,2,2-trifluoroethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898038
N-(3,3,3-trifluoropropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79903112
N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903120

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine (CID 79903198) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine is FC(F)(F)COCCNC1CCOC2(CCCC2)C1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is OKONQWBZUGGJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)10-18-8-6-17-11-3-7-19-12(9-11)4-1-2-5-12/h11,17H,1-10H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 281.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).