5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one

C12H11ClF3NO2 — CID 54412252

IUPAC5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1(O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H11ClF3NO2/c1-17-10(18)4-5-11(17,19)7-2-3-9(13)8(6-7)12(14,15)16/h2-3,6,19H,4-5H2,1H3
InChIKeyVUYGZEKSCURUEE-UHFFFAOYSA-N
MW293.67 g/mol
LogP2.76
Rot. Bonds1

About 5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one

5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 54412252) has the molecular formula C12H11ClF3NO2 and a molecular weight of 293.67 g/mol. Its IUPAC name is 5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one
PubChem CID54412252
Molecular FormulaC12H11ClF3NO2
Molecular Weight293.67 g/mol
Exact Mass293.04
IUPAC Name5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1(O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H11ClF3NO2/c1-17-10(18)4-5-11(17,19)7-2-3-9(13)8(6-7)12(14,15)16/h2-3,6,19H,4-5H2,1H3
InChIKeyVUYGZEKSCURUEE-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one (CID 54412252) is 5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one is CN1C(=O)CCC1(O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is VUYGZEKSCURUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO2/c1-17-10(18)4-5-11(17,19)7-2-3-9(13)8(6-7)12(14,15)16/h2-3,6,19H,4-5H2,1H3.
What are the key properties of 5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one?
5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 293.67 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-(trifluoromethyl)phenyl]-5-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 54412252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).