8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C14H17F3N4O2 — CID 56870612

IUPAC8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(c3nccc(CCC(F)(F)F)n3)CC2)O1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)3-1-10-2-6-18-11(20-10)21-7-4-13(5-8-21)9-19-12(22)23-13/h2,6H,1,3-5,7-9H2,(H,19,22)
InChIKeyNRWWJGMHVXSVIS-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.05
Rot. Bonds3

About 8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 56870612) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID56870612
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(c3nccc(CCC(F)(F)F)n3)CC2)O1
InChIInChI=1S/C14H17F3N4O2/c15-14(16,17)3-1-10-2-6-18-11(20-10)21-7-4-13(5-8-21)9-19-12(22)23-13/h2,6H,1,3-5,7-9H2,(H,19,22)
InChIKeyNRWWJGMHVXSVIS-UHFFFAOYSA-N
XLogP2.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 56870612) is 8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(c3nccc(CCC(F)(F)F)n3)CC2)O1.
What is the InChIKey of 8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NRWWJGMHVXSVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c15-14(16,17)3-1-10-2-6-18-11(20-10)21-7-4-13(5-8-21)9-19-12(22)23-13/h2,6H,1,3-5,7-9H2,(H,19,22).
What are the key properties of 8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 330.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56870612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).