2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone

C14H16F3N3O2 — CID 138009671

IUPAC2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)nc1)N1CCCCC12CCOC2
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)12-18-7-10(8-19-12)11(21)20-5-2-1-3-13(20)4-6-22-9-13/h7-8H,1-6,9H2
InChIKeyCURLUEBZYMEJOQ-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.28
Rot. Bonds1

About 2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone

2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (PubChem CID 138009671) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
PubChem CID138009671
Molecular FormulaC14H16F3N3O2
Molecular Weight315.29 g/mol
Exact Mass315.12
IUPAC Name2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)nc1)N1CCCCC12CCOC2
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)12-18-7-10(8-19-12)11(21)20-5-2-1-3-13(20)4-6-22-9-13/h7-8H,1-6,9H2
InChIKeyCURLUEBZYMEJOQ-UHFFFAOYSA-N
XLogP2.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The IUPAC name of 2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (CID 138009671) is 2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.
What is the SMILES notation for 2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The canonical SMILES for 2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is O=C(c1cnc(C(F)(F)F)nc1)N1CCCCC12CCOC2.
What is the InChIKey of 2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The InChIKey is CURLUEBZYMEJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c15-14(16,17)12-18-7-10(8-19-12)11(21)20-5-2-1-3-13(20)4-6-22-9-13/h7-8H,1-6,9H2.
What are the key properties of 2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone has a molecular weight of 315.29 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6-azaspiro[4.5]decan-6-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 138009671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).