(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione

C11H8F3NO2 — CID 138974226

IUPAC(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](C(F)(F)F)C(=O)N1c1ccccc1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)8-6-9(16)15(10(8)17)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m1/s1
InChIKeyMQNBWTNXBIKHBY-MRVPVSSYSA-N
MW243.18 g/mol
LogP2.13
Rot. Bonds1

About (3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione

(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione (PubChem CID 138974226) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is (3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
PubChem CID138974226
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](C(F)(F)F)C(=O)N1c1ccccc1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)8-6-9(16)15(10(8)17)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m1/s1
InChIKeyMQNBWTNXBIKHBY-MRVPVSSYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal
CID 102257740
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal
CID 139259707
2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal
CID 139259686
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
2-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylpropanal
CID 71725303
3-[3-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpropylsulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 132966697
(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 774602
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetic acid
CID 711215
1-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrrolidine-2,5-dione
CID 106427348
ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione
CID 145169692
4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperazine-1-carbaldehyde
CID 2877126
1,4-diphenylpiperidine-2,6-dione
CID 2812798

Frequently Asked Questions

What is the IUPAC name of (3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione (CID 138974226) is (3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione is O=C1C[C@@H](C(F)(F)F)C(=O)N1c1ccccc1.
What is the InChIKey of (3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione?
The InChIKey is MQNBWTNXBIKHBY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)8-6-9(16)15(10(8)17)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m1/s1.
What are the key properties of (3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione?
(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione has a molecular weight of 243.18 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 138974226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).