N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C14H24F3NO2 — CID 102897299

IUPACN-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)11-19-9-8-18-10-12-4-7-13(20-12)5-2-1-3-6-13/h12,18H,1-11H2
InChIKeyRPHSIWDQOHLCMT-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.04
Rot. Bonds6

About N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 102897299) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID102897299
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)11-19-9-8-18-10-12-4-7-13(20-12)5-2-1-3-6-13/h12,18H,1-11H2
InChIKeyRPHSIWDQOHLCMT-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.04
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

(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
3-[(2,4-difluorocyclohexyl)methyl]-N-(oxolan-2-ylmethyl)hexan-1-amine
CID 166960836
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
3,3-Difluoro-1-oxa-7-azaspiro[4.5]decane
CID 55280740
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110412
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
CID 62725384
N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753822
N-[1-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756483
N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757254
N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758061
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758790
N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759795

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 102897299) is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is RPHSIWDQOHLCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c15-14(16,17)11-19-9-8-18-10-12-4-7-13(20-12)5-2-1-3-6-13/h12,18H,1-11H2.
What are the key properties of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 295.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 102897299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).