9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane

C14H17F3N2O2 — CID 75506837

IUPAC9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESFC(F)(F)c1cccnc1CN1CCCC2(C1)OCCO2
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-3-1-5-18-12(11)9-19-6-2-4-13(10-19)20-7-8-21-13/h1,3,5H,2,4,6-10H2
InChIKeyZYJUPCXICODAOH-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.44
Rot. Bonds2

About 9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane

9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 75506837) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID75506837
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESFC(F)(F)c1cccnc1CN1CCCC2(C1)OCCO2
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-3-1-5-18-12(11)9-19-6-2-4-13(10-19)20-7-8-21-13/h1,3,5H,2,4,6-10H2
InChIKeyZYJUPCXICODAOH-UHFFFAOYSA-N
XLogP2.44
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane (CID 75506837) is 9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane is FC(F)(F)c1cccnc1CN1CCCC2(C1)OCCO2.
What is the InChIKey of 9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is ZYJUPCXICODAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)11-3-1-5-18-12(11)9-19-6-2-4-13(10-19)20-7-8-21-13/h1,3,5H,2,4,6-10H2.
What are the key properties of 9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane has a molecular weight of 302.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 75506837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).