3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane

C15H19F3N2O — CID 110131042

IUPAC3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1ccc(CC2COC3(CCNCC3)C2)nc1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-1-2-13(20-9-12)7-11-8-14(21-10-11)3-5-19-6-4-14/h1-2,9,11,19H,3-8,10H2
InChIKeyLKWLYNVKIWBRJK-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.80
Rot. Bonds2

About 3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane

3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 110131042) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID110131042
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1ccc(CC2COC3(CCNCC3)C2)nc1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-1-2-13(20-9-12)7-11-8-14(21-10-11)3-5-19-6-4-14/h1-2,9,11,19H,3-8,10H2
InChIKeyLKWLYNVKIWBRJK-UHFFFAOYSA-N
XLogP2.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane (CID 110131042) is 3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane is FC(F)(F)c1ccc(CC2COC3(CCNCC3)C2)nc1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is LKWLYNVKIWBRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)12-1-2-13(20-9-12)7-11-8-14(21-10-11)3-5-19-6-4-14/h1-2,9,11,19H,3-8,10H2.
What are the key properties of 3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane?
3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 300.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 110131042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).