3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane

C14H17F3N2O2 — CID 102930637

IUPAC3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1ccnc(OC2COC3(CCNCC3)C2)c1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-1-4-19-12(7-10)21-11-8-13(20-9-11)2-5-18-6-3-13/h1,4,7,11,18H,2-3,5-6,8-9H2
InChIKeyQDEIBIPMRLPJNE-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.39
Rot. Bonds2

About 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane

3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930637) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930637
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1ccnc(OC2COC3(CCNCC3)C2)c1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-1-4-19-12(7-10)21-11-8-13(20-9-11)2-5-18-6-3-13/h1,4,7,11,18H,2-3,5-6,8-9H2
InChIKeyQDEIBIPMRLPJNE-UHFFFAOYSA-N
XLogP2.39
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-yloxy-4-(trifluoromethyl)pyridine
CID 66330077
(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420064
4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane
CID 176515540
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carbonitrile
CID 102930474
(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane
CID 124938709
3-(6-propylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930624
3-[(6-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930458
3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930543
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930602
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-2-carboxamide
CID 102930635
3-imidazo[1,2-a]pyridin-5-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 102930507
(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124977237

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane (CID 102930637) is 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane is FC(F)(F)c1ccnc(OC2COC3(CCNCC3)C2)c1.
What is the InChIKey of 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QDEIBIPMRLPJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)10-1-4-19-12(7-10)21-11-8-13(20-9-11)2-5-18-6-3-13/h1,4,7,11,18H,2-3,5-6,8-9H2.
What are the key properties of 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane?
3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 302.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).