5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione

C11H9F3N2O4 — CID 70889792

IUPAC5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc(C(O)(O)C(F)(F)F)cc2)N1
InChIInChI=1S/C11H9F3N2O4/c12-11(13,14)10(19,20)6-3-1-5(2-4-6)7-8(17)16-9(18)15-7/h1-4,7,19-20H,(H2,15,16,17,18)
InChIKeyYAWKXFGZKCOIKG-UHFFFAOYSA-N
MW290.20 g/mol
LogP0.27
Rot. Bonds2

About 5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione

5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 70889792) has the molecular formula C11H9F3N2O4 and a molecular weight of 290.20 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione
PubChem CID70889792
Molecular FormulaC11H9F3N2O4
Molecular Weight290.20 g/mol
Exact Mass290.05
IUPAC Name5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc(C(O)(O)C(F)(F)F)cc2)N1
InChIInChI=1S/C11H9F3N2O4/c12-11(13,14)10(19,20)6-3-1-5(2-4-6)7-8(17)16-9(18)15-7/h1-4,7,19-20H,(H2,15,16,17,18)
InChIKeyYAWKXFGZKCOIKG-UHFFFAOYSA-N
XLogP0.27
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 23136837
4-[4-(2,5-Dioxoimidazolidin-4-yl)phenyl]benzoic acid
CID 57397337
4-[1-[2-(2,4-Difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid
CID 155545645
4'-Hydroxyphenyl-5-phenylhydantoin
CID 129858679
5-[Hydroxy-[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 9856784
5-[Hydroxy-[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 9965353
(2R)-[(2-Oxoimidazolidine-1-carbonyl)amino](phenyl)acetic acid
CID 12899876
4-[[(2S)-1-[(2R)-1-[(5,5-difluoro-2-methyl-4-oxo-8-phenyloctan-3-yl)carbamoyl]-2-methylpyrrolidin-1-ium-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]benzoic acid
CID 57147793
4-[1-[[(4S)-4-fluoropyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
CID 71186393
4-((S)-1-((2R,4S)-4-fluoropyrrolidine-2-carboxamido)ethyl)benzoic acid
CID 71204704
4-[1-[(4-Fluoropyrrolidine-2-carbonyl)amino]ethyl]benzoic acid
CID 78024207
2-fluoro-4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoic acid
CID 134494263

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione (CID 70889792) is 5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)C(c2ccc(C(O)(O)C(F)(F)F)cc2)N1.
What is the InChIKey of 5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is YAWKXFGZKCOIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O4/c12-11(13,14)10(19,20)6-3-1-5(2-4-6)7-8(17)16-9(18)15-7/h1-4,7,19-20H,(H2,15,16,17,18).
What are the key properties of 5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione?
5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 290.20 g/mol, XLogP of 0.27, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoro-1,1-dihydroxyethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70889792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).