1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione

C12H10F4N2O3 — CID 130476516

IUPAC1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2ccc(OC(F)(F)C(F)F)cc2)C1=O
InChIInChI=1S/C12H10F4N2O3/c1-17-6-9(19)18(11(17)20)7-2-4-8(5-3-7)21-12(15,16)10(13)14/h2-5,10H,6H2,1H3
InChIKeyQQTIJTKRNXONAQ-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.32
Rot. Bonds4

About 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione

1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 130476516) has the molecular formula C12H10F4N2O3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID130476516
Molecular FormulaC12H10F4N2O3
Molecular Weight306.21 g/mol
Exact Mass306.06
IUPAC Name1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2ccc(OC(F)(F)C(F)F)cc2)C1=O
InChIInChI=1S/C12H10F4N2O3/c1-17-6-9(19)18(11(17)20)7-2-4-8(5-3-7)21-12(15,16)10(13)14/h2-5,10H,6H2,1H3
InChIKeyQQTIJTKRNXONAQ-UHFFFAOYSA-N
XLogP2.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione (CID 130476516) is 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione is CN1CC(=O)N(c2ccc(OC(F)(F)C(F)F)cc2)C1=O.
What is the InChIKey of 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is QQTIJTKRNXONAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O3/c1-17-6-9(19)18(11(17)20)7-2-4-8(5-3-7)21-12(15,16)10(13)14/h2-5,10H,6H2,1H3.
What are the key properties of 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione?
1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 306.21 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 130476516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).