2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate

C12H18F3NO2 — CID 64687567

IUPAC2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCC2(CCCC2)CC1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)9-18-10(17)16-7-5-11(6-8-16)3-1-2-4-11/h1-9H2
InChIKeyXRIRZLPXUMTISA-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.34
Rot. Bonds1

About 2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate

2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 64687567) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate
PubChem CID64687567
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(OCC(F)(F)F)N1CCC2(CCCC2)CC1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)9-18-10(17)16-7-5-11(6-8-16)3-1-2-4-11/h1-9H2
InChIKeyXRIRZLPXUMTISA-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl azepane-1-carboxylate
CID 65168312
2,2,2-trifluoroethyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 79039797
2,2,2-trifluoroethyl 4-acetyl-1,4-diazepane-1-carboxylate
CID 65173403
2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 63373740
2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate
CID 65173275
2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]acetic acid
CID 79609155
methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 65173779
2,2,2-trifluoroethyl 3-methylpyrrolidine-1-carboxylate
CID 62734498
2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate
CID 63719362
2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid
CID 62691289

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate (CID 64687567) is 2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate is O=C(OCC(F)(F)F)N1CCC2(CCCC2)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is XRIRZLPXUMTISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)9-18-10(17)16-7-5-11(6-8-16)3-1-2-4-11/h1-9H2.
What are the key properties of 2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate?
2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 265.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 64687567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).