5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione

C16H19F3N2O3 — CID 2215972

IUPAC5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCOc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C16H19F3N2O3/c1-15(2)13(22)21(14(23)20-15)8-3-4-9-24-12-7-5-6-11(10-12)16(17,18)19/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,23)
InChIKeyMILCAQNWUBTJFG-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.19
Rot. Bonds6

About 5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione (PubChem CID 2215972) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione
PubChem CID2215972
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCOc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C16H19F3N2O3/c1-15(2)13(22)21(14(23)20-15)8-3-4-9-24-12-7-5-6-11(10-12)16(17,18)19/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,23)
InChIKeyMILCAQNWUBTJFG-UHFFFAOYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione (CID 2215972) is 5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCCOc2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione?
The InChIKey is MILCAQNWUBTJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-15(2)13(22)21(14(23)20-15)8-3-4-9-24-12-7-5-6-11(10-12)16(17,18)19/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,23).
What are the key properties of 5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione has a molecular weight of 344.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-[3-(trifluoromethyl)phenoxy]butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2215972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).