1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C14H24F3NO2 — CID 103147974

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)10-19-7-4-12(18)11-3-8-20-13(9-11)5-1-2-6-13/h11-12H,1-10,18H2
InChIKeyQACHXHXSLPWHLK-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.02
Rot. Bonds5

About 1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103147974) has the molecular formula C14H24F3NO2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103147974
Molecular FormulaC14H24F3NO2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)10-19-7-4-12(18)11-3-8-20-13(9-11)5-1-2-6-13/h11-12H,1-10,18H2
InChIKeyQACHXHXSLPWHLK-UHFFFAOYSA-N
XLogP3.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.02
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

6-Oxaspiro(4.5)decan-9-amine
CID 64104760
1,1-Difluoro-6-oxaspiro[4.5]decan-9-amine hydrochloride
CID 169785543
9,9-Difluoro-1-oxaspiro[5.5]undecan-4-amine hydrochloride
CID 165948659
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
4,4-Difluoro-6-oxaspiro[4.5]decan-9-amine
CID 168891874
9-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64756955
10-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64758459
N-(2,2,2-trifluoroethyl)-6-oxaspiro[4.5]decan-9-amine
CID 79897957
N-(3,3,3-trifluoropropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79904110
N-ethyl-3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79914637
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine
CID 79914929
3,3,3-Trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914930

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103147974) is 1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is NC(CCOCC(F)(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is QACHXHXSLPWHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c15-14(16,17)10-19-7-4-12(18)11-3-8-20-13(9-11)5-1-2-6-13/h11-12H,1-10,18H2.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 295.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103147974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).