(5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

C18H11F6NO4 — CID 87200282

IUPAC(5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
SMILESO=C1C[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(OC(F)(F)F)c2)NC1=O
InChIInChI=1S/C18H11F6NO4/c19-17(20,21)28-12-6-4-10(5-7-12)16(9-14(26)15(27)25-16)11-2-1-3-13(8-11)29-18(22,23)24/h1-8H,9H2,(H,25,27)/t16-/m1/s1
InChIKeyGVIVNJFLUQFBMB-MRXNPFEDSA-N
MW419.28 g/mol
LogP3.82
Rot. Bonds4

About (5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

(5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione (PubChem CID 87200282) has the molecular formula C18H11F6NO4 and a molecular weight of 419.28 g/mol. Its IUPAC name is (5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
PubChem CID87200282
Molecular FormulaC18H11F6NO4
Molecular Weight419.28 g/mol
Exact Mass419.06
IUPAC Name(5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
SMILESO=C1C[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(OC(F)(F)F)c2)NC1=O
InChIInChI=1S/C18H11F6NO4/c19-17(20,21)28-12-6-4-10(5-7-12)16(9-14(26)15(27)25-16)11-2-1-3-13(8-11)29-18(22,23)24/h1-8H,9H2,(H,25,27)/t16-/m1/s1
InChIKeyGVIVNJFLUQFBMB-MRXNPFEDSA-N
XLogP3.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine
CID 112707082
4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid
CID 23149910
7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963403
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
trifluoromethoxybenzene
CID 157402708
2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 169100260
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
CID 167713453
2-[3-(trifluoromethoxy)phenyl]tetrazolidin-5-one
CID 87967895
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 142618374

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of (5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione (CID 87200282) is (5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for (5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for (5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione is O=C1C[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(OC(F)(F)F)c2)NC1=O.
What is the InChIKey of (5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?
The InChIKey is GVIVNJFLUQFBMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H11F6NO4/c19-17(20,21)28-12-6-4-10(5-7-12)16(9-14(26)15(27)25-16)11-2-1-3-13(8-11)29-18(22,23)24/h1-8H,9H2,(H,25,27)/t16-/m1/s1.
What are the key properties of (5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?
(5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione has a molecular weight of 419.28 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 87200282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).