furan-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid

C18H25F3N2O6 — CID 118745169

IUPACfuran-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCOCC12CCN(C(=O)c1ccoc1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N2O4.C2HF3O2/c1-20-10-7-18-8-11-22-13-16(18)3-5-17(6-4-16)15(19)14-2-9-21-12-14;3-2(4,5)1(6)7/h2,9,12H,3-8,10-11,13H2,1H3;(H,6,7)
InChIKeyYAFUMOVUXCQUSF-UHFFFAOYSA-N
MW422.40 g/mol
LogP1.87
Rot. Bonds4

About furan-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid

furan-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 118745169) has the molecular formula C18H25F3N2O6 and a molecular weight of 422.40 g/mol. Its IUPAC name is furan-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namefuran-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID118745169
Molecular FormulaC18H25F3N2O6
Molecular Weight422.40 g/mol
Exact Mass422.17
IUPAC Namefuran-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCOCC12CCN(C(=O)c1ccoc1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N2O4.C2HF3O2/c1-20-10-7-18-8-11-22-13-16(18)3-5-17(6-4-16)15(19)14-2-9-21-12-14;3-2(4,5)1(6)7/h2,9,12H,3-8,10-11,13H2,1H3;(H,6,7)
InChIKeyYAFUMOVUXCQUSF-UHFFFAOYSA-N
XLogP1.87
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of furan-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid (CID 118745169) is furan-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for furan-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for furan-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid is COCCN1CCOCC12CCN(C(=O)c1ccoc1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of furan-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is YAFUMOVUXCQUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.C2HF3O2/c1-20-10-7-18-8-11-22-13-16(18)3-5-17(6-4-16)15(19)14-2-9-21-12-14;3-2(4,5)1(6)7/h2,9,12H,3-8,10-11,13H2,1H3;(H,6,7).
What are the key properties of furan-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid?
furan-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 422.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118745169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).