1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one

C10H9F3N2O — CID 166608825

IUPAC1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-3-1-4-8(14-7)15-6-2-5-9(15)16/h1,3-4H,2,5-6H2
InChIKeySTQNXUSFCGLOMB-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.23
Rot. Bonds1

About 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one

1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 166608825) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID166608825
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-3-1-4-8(14-7)15-6-2-5-9(15)16/h1,3-4H,2,5-6H2
InChIKeySTQNXUSFCGLOMB-UHFFFAOYSA-N
XLogP2.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one (CID 166608825) is 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is STQNXUSFCGLOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)7-3-1-4-8(14-7)15-6-2-5-9(15)16/h1,3-4H,2,5-6H2.
What are the key properties of 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one?
1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 230.19 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 166608825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).