1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride

C14H24ClF3N2O2 — CID 88924259

IUPAC1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride
SMILESCCN1CC(C)(C)CC2(CCN(C(=O)C(F)(F)F)CO2)C1.Cl
InChIInChI=1S/C14H23F3N2O2.ClH/c1-4-18-8-12(2,3)7-13(9-18)5-6-19(10-21-13)11(20)14(15,16)17;/h4-10H2,1-3H3;1H
InChIKeyJFZXWMTWVJDYRF-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.67
Rot. Bonds1

About 1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride

1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride (PubChem CID 88924259) has the molecular formula C14H24ClF3N2O2 and a molecular weight of 344.81 g/mol. Its IUPAC name is 1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride.

Molecular Properties

Compound Name1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride
PubChem CID88924259
Molecular FormulaC14H24ClF3N2O2
Molecular Weight344.81 g/mol
Exact Mass344.15
IUPAC Name1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride
SMILESCCN1CC(C)(C)CC2(CCN(C(=O)C(F)(F)F)CO2)C1.Cl
InChIInChI=1S/C14H23F3N2O2.ClH/c1-4-18-8-12(2,3)7-13(9-18)5-6-19(10-21-13)11(20)14(15,16)17;/h4-10H2,1-3H3;1H
InChIKeyJFZXWMTWVJDYRF-UHFFFAOYSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride?
The IUPAC name of 1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride (CID 88924259) is 1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride.
What is the SMILES notation for 1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride?
The canonical SMILES for 1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride is CCN1CC(C)(C)CC2(CCN(C(=O)C(F)(F)F)CO2)C1.Cl.
What is the InChIKey of 1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride?
The InChIKey is JFZXWMTWVJDYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2.ClH/c1-4-18-8-12(2,3)7-13(9-18)5-6-19(10-21-13)11(20)14(15,16)17;/h4-10H2,1-3H3;1H.
What are the key properties of 1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride?
1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride has a molecular weight of 344.81 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride is sourced from PubChem (CID 88924259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).