7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C10H13F3N2O3 — CID 131946431

IUPAC7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(CCC(F)(F)F)N1CCN2C(=O)OCC2C1
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)2-1-8(16)14-3-4-15-7(5-14)6-18-9(15)17/h7H,1-6H2
InChIKeyWFLNFBKAMDYGEE-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.99
Rot. Bonds2

About 7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 131946431) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID131946431
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(CCC(F)(F)F)N1CCN2C(=O)OCC2C1
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)2-1-8(16)14-3-4-15-7(5-14)6-18-9(15)17/h7H,1-6H2
InChIKeyWFLNFBKAMDYGEE-UHFFFAOYSA-N
XLogP0.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

2,2,2-Trifluoroethyl 6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylate
CID 82862812
(8aR)-7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 129506727
(8aS)-7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 129506728
7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 130701706
7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 130736686
7-[2-(2-Oxopyrrolidin-1-yl)ethyl]hexahydro[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 132420061

Frequently Asked Questions

What is the IUPAC name of 7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 131946431) is 7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C(CCC(F)(F)F)N1CCN2C(=O)OCC2C1.
What is the InChIKey of 7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is WFLNFBKAMDYGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c11-10(12,13)2-1-8(16)14-3-4-15-7(5-14)6-18-9(15)17/h7H,1-6H2.
What are the key properties of 7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 266.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 131946431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).