1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine

C14H24F3NO2 — CID 79914931

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H24F3NO2/c1-2-18-12(10-14(15,16)17)11-3-6-20-13(9-11)4-7-19-8-5-13/h11-12,18H,2-10H2,1H3
InChIKeyDMWUNDGWMINSHM-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.89
Rot. Bonds4

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine (PubChem CID 79914931) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
PubChem CID79914931
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H24F3NO2/c1-2-18-12(10-14(15,16)17)11-3-6-20-13(9-11)4-7-19-8-5-13/h11-12,18H,2-10H2,1H3
InChIKeyDMWUNDGWMINSHM-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine (CID 79914931) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine is CCNC(CC(F)(F)F)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The InChIKey is DMWUNDGWMINSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-2-18-12(10-14(15,16)17)11-3-6-20-13(9-11)4-7-19-8-5-13/h11-12,18H,2-10H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine has a molecular weight of 295.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 79914931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).