tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate

C14H23F3N2O2 — CID 71305496

IUPACtert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCNC2C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O2/c1-12(2,3)21-11(20)19-8-5-13(6-9-19)4-7-18-10(13)14(15,16)17/h10,18H,4-9H2,1-3H3
InChIKeyUXNQKSDMAUQSOE-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.93
Rot. Bonds

About tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 71305496) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID71305496
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Nametert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCNC2C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O2/c1-12(2,3)21-11(20)19-8-5-13(6-9-19)4-7-18-10(13)14(15,16)17/h10,18H,4-9H2,1-3H3
InChIKeyUXNQKSDMAUQSOE-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 71305496) is tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCNC2C(F)(F)F)CC1.
What is the InChIKey of tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is UXNQKSDMAUQSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-12(2,3)21-11(20)19-8-5-13(6-9-19)4-7-18-10(13)14(15,16)17/h10,18H,4-9H2,1-3H3.
What are the key properties of tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 71305496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).