1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone

C14H23F3N2O2 — CID 88924194

IUPAC1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone
SMILESCCN1CC(C)(C)OC2(CCN(C(=O)C(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2O2/c1-4-18-9-12(2,3)21-13(10-18)5-7-19(8-6-13)11(20)14(15,16)17/h4-10H2,1-3H3
InChIKeyIHHUVXYGTWLYHO-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.04
Rot. Bonds1

About 1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone

1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone (PubChem CID 88924194) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone
PubChem CID88924194
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone
SMILESCCN1CC(C)(C)OC2(CCN(C(=O)C(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2O2/c1-4-18-9-12(2,3)21-13(10-18)5-7-19(8-6-13)11(20)14(15,16)17/h4-10H2,1-3H3
InChIKeyIHHUVXYGTWLYHO-UHFFFAOYSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone with MolForge

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Related Compounds

1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride
CID 88924259
1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
CID 91172286
acetic acid;1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone
CID 86672453
2-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-2,9-dicarboxylic acid
CID 123373319
1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone
CID 45081156
2-butoxycarbonyl-2-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 123435311
2,2,2-trifluoro-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406145
1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone
CID 88924196
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2,2,2-trifluoroethanone
CID 107300809
4-[(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)methyl]benzoic acid
CID 122033298
1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione
CID 4167516
1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 135039672

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone (CID 88924194) is 1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone is CCN1CC(C)(C)OC2(CCN(C(=O)C(F)(F)F)CC2)C1.
What is the InChIKey of 1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone?
The InChIKey is IHHUVXYGTWLYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-4-18-9-12(2,3)21-13(10-18)5-7-19(8-6-13)11(20)14(15,16)17/h4-10H2,1-3H3.
What are the key properties of 1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone?
1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone has a molecular weight of 308.34 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 88924194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).