5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

C13H14F3NO — CID 104687321

IUPAC5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCC1(Cc2ccc(C(F)(F)F)cc2)CCC(=O)N1
InChIInChI=1S/C13H14F3NO/c1-12(7-6-11(18)17-12)8-9-2-4-10(5-3-9)13(14,15)16/h2-5H,6-8H2,1H3,(H,17,18)
InChIKeyLXPXOBUDXNMVEA-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.92
Rot. Bonds2

About 5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 104687321) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID104687321
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCC1(Cc2ccc(C(F)(F)F)cc2)CCC(=O)N1
InChIInChI=1S/C13H14F3NO/c1-12(7-6-11(18)17-12)8-9-2-4-10(5-3-9)13(14,15)16/h2-5H,6-8H2,1H3,(H,17,18)
InChIKeyLXPXOBUDXNMVEA-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (CID 104687321) is 5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is CC1(Cc2ccc(C(F)(F)F)cc2)CCC(=O)N1.
What is the InChIKey of 5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is LXPXOBUDXNMVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-12(7-6-11(18)17-12)8-9-2-4-10(5-3-9)13(14,15)16/h2-5H,6-8H2,1H3,(H,17,18).
What are the key properties of 5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 257.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).