8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione

C15H14F3N3O4 — CID 141008790

IUPAC8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione
SMILESO=C1C=CC(=O)OC2(CNCCCN2c2cncc(C(F)(F)F)c2)O1
InChIInChI=1S/C15H14F3N3O4/c16-15(17,18)10-6-11(8-20-7-10)21-5-1-4-19-9-14(21)24-12(22)2-3-13(23)25-14/h2-3,6-8,19H,1,4-5,9H2
InChIKeyFEAOATVBAXBBFP-UHFFFAOYSA-N
MW357.29 g/mol
LogP1.21
Rot. Bonds1

About 8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione

8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione (PubChem CID 141008790) has the molecular formula C15H14F3N3O4 and a molecular weight of 357.29 g/mol. Its IUPAC name is 8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione.

Molecular Properties

Compound Name8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione
PubChem CID141008790
Molecular FormulaC15H14F3N3O4
Molecular Weight357.29 g/mol
Exact Mass357.09
IUPAC Name8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione
SMILESO=C1C=CC(=O)OC2(CNCCCN2c2cncc(C(F)(F)F)c2)O1
InChIInChI=1S/C15H14F3N3O4/c16-15(17,18)10-6-11(8-20-7-10)21-5-1-4-19-9-14(21)24-12(22)2-3-13(23)25-14/h2-3,6-8,19H,1,4-5,9H2
InChIKeyFEAOATVBAXBBFP-UHFFFAOYSA-N
XLogP1.21
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione?
The IUPAC name of 8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione (CID 141008790) is 8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione.
What is the SMILES notation for 8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione?
The canonical SMILES for 8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione is O=C1C=CC(=O)OC2(CNCCCN2c2cncc(C(F)(F)F)c2)O1.
What is the InChIKey of 8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione?
The InChIKey is FEAOATVBAXBBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4/c16-15(17,18)10-6-11(8-20-7-10)21-5-1-4-19-9-14(21)24-12(22)2-3-13(23)25-14/h2-3,6-8,19H,1,4-5,9H2.
What are the key properties of 8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione?
8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione has a molecular weight of 357.29 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(trifluoromethyl)-3-pyridinyl]-1,6-dioxa-8,12-diazaspiro[6.6]tridec-3-ene-2,5-dione is sourced from PubChem (CID 141008790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).