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

C9H8F3N3O — CID 166609013

IUPAC1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)6-3-4-13-8(14-6)15-5-1-2-7(15)16/h3-4H,1-2,5H2
InChIKeyACVLAKCWLRUGRO-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.62
Rot. Bonds1

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

1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one (PubChem CID 166609013) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
PubChem CID166609013
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)6-3-4-13-8(14-6)15-5-1-2-7(15)16/h3-4H,1-2,5H2
InChIKeyACVLAKCWLRUGRO-UHFFFAOYSA-N
XLogP1.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one (CID 166609013) is 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one is O=C1CCCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The InChIKey is ACVLAKCWLRUGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c10-9(11,12)6-3-4-13-8(14-6)15-5-1-2-7(15)16/h3-4H,1-2,5H2.
What are the key properties of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one has a molecular weight of 231.18 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 166609013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).