(3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione

C12H8Cl2F3NO2 — CID 89488083

IUPAC(3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@](Cc2cc(Cl)cc(Cl)c2)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C12H8Cl2F3NO2/c13-7-1-6(2-8(14)3-7)4-11(12(15,16)17)5-9(19)18-10(11)20/h1-3H,4-5H2,(H,18,19,20)/t11-/m1/s1
InChIKeyMXGBLOHRGXBSGC-LLVKDONJSA-N
MW326.10 g/mol
LogP3.13
Rot. Bonds2

About (3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione

(3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione (PubChem CID 89488083) has the molecular formula C12H8Cl2F3NO2 and a molecular weight of 326.10 g/mol. Its IUPAC name is (3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione
PubChem CID89488083
Molecular FormulaC12H8Cl2F3NO2
Molecular Weight326.10 g/mol
Exact Mass324.99
IUPAC Name(3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@](Cc2cc(Cl)cc(Cl)c2)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C12H8Cl2F3NO2/c13-7-1-6(2-8(14)3-7)4-11(12(15,16)17)5-9(19)18-10(11)20/h1-3H,4-5H2,(H,18,19,20)/t11-/m1/s1
InChIKeyMXGBLOHRGXBSGC-LLVKDONJSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.10
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione (CID 89488083) is (3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione is O=C1C[C@@](Cc2cc(Cl)cc(Cl)c2)(C(F)(F)F)C(=O)N1.
What is the InChIKey of (3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione?
The InChIKey is MXGBLOHRGXBSGC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H8Cl2F3NO2/c13-7-1-6(2-8(14)3-7)4-11(12(15,16)17)5-9(19)18-10(11)20/h1-3H,4-5H2,(H,18,19,20)/t11-/m1/s1.
What are the key properties of (3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione?
(3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione has a molecular weight of 326.10 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3,5-dichlorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 89488083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).