3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C12H11BrF3NO2 — CID 163303493

IUPAC3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1N(CC(F)(F)F)CCC1(O)c1cccc(Br)c1
InChIInChI=1S/C12H11BrF3NO2/c13-9-3-1-2-8(6-9)11(19)4-5-17(10(11)18)7-12(14,15)16/h1-3,6,19H,4-5,7H2
InChIKeyQOFWMSBAKNNKKZ-UHFFFAOYSA-N
MW338.12 g/mol
LogP2.43
Rot. Bonds2

About 3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 163303493) has the molecular formula C12H11BrF3NO2 and a molecular weight of 338.12 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID163303493
Molecular FormulaC12H11BrF3NO2
Molecular Weight338.12 g/mol
Exact Mass336.99
IUPAC Name3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1N(CC(F)(F)F)CCC1(O)c1cccc(Br)c1
InChIInChI=1S/C12H11BrF3NO2/c13-9-3-1-2-8(6-9)11(19)4-5-17(10(11)18)7-12(14,15)16/h1-3,6,19H,4-5,7H2
InChIKeyQOFWMSBAKNNKKZ-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 163303493) is 3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1N(CC(F)(F)F)CCC1(O)c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is QOFWMSBAKNNKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3NO2/c13-9-3-1-2-8(6-9)11(19)4-5-17(10(11)18)7-12(14,15)16/h1-3,6,19H,4-5,7H2.
What are the key properties of 3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 338.12 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 163303493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).