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

C14H24F3NO3 — CID 103148253

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H24F3NO3/c1-18-12(3-5-19-10-14(15,16)17)11-2-6-21-13(8-11)4-7-20-9-13/h11-12,18H,2-10H2,1H3
InChIKeyPEIFUCNAYYVUQD-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.13
Rot. Bonds6

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

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148253) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148253
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H24F3NO3/c1-18-12(3-5-19-10-14(15,16)17)11-2-6-21-13(8-11)4-7-20-9-13/h11-12,18H,2-10H2,1H3
InChIKeyPEIFUCNAYYVUQD-UHFFFAOYSA-N
XLogP2.13
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148253) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CNC(CCOCC(F)(F)F)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is PEIFUCNAYYVUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-18-12(3-5-19-10-14(15,16)17)11-2-6-21-13(8-11)4-7-20-9-13/h11-12,18H,2-10H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 311.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).