4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one

C9H8F3N3O2 — CID 168704115

IUPAC4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3O2/c10-9(11,12)6-1-2-13-8(14-6)15-4-5(16)3-7(15)17/h1-2,5,16H,3-4H2
InChIKeyJNEMRFLEHBSDOO-UHFFFAOYSA-N
MW247.18 g/mol
LogP0.59
Rot. Bonds1

About 4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one

4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one (PubChem CID 168704115) has the molecular formula C9H8F3N3O2 and a molecular weight of 247.18 g/mol. Its IUPAC name is 4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
PubChem CID168704115
Molecular FormulaC9H8F3N3O2
Molecular Weight247.18 g/mol
Exact Mass247.06
IUPAC Name4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3O2/c10-9(11,12)6-1-2-13-8(14-6)15-4-5(16)3-7(15)17/h1-2,5,16H,3-4H2
InChIKeyJNEMRFLEHBSDOO-UHFFFAOYSA-N
XLogP0.59
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one (CID 168704115) is 4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one is O=C1CC(O)CN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The InChIKey is JNEMRFLEHBSDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2/c10-9(11,12)6-1-2-13-8(14-6)15-4-5(16)3-7(15)17/h1-2,5,16H,3-4H2.
What are the key properties of 4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one has a molecular weight of 247.18 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168704115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).