1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one

C13H12F4N2O2 — CID 18713624

IUPAC1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one
SMILESCn1ccn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O
InChIInChI=1S/C13H12F4N2O2/c1-18-6-7-19(12(18)20)9-2-4-10(5-3-9)21-8-13(16,17)11(14)15/h2-7,11H,8H2,1H3
InChIKeyDLUNUPYROGAZKH-UHFFFAOYSA-N
MW304.24 g/mol
LogP2.46
Rot. Bonds5

About 1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one

1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one (PubChem CID 18713624) has the molecular formula C13H12F4N2O2 and a molecular weight of 304.24 g/mol. Its IUPAC name is 1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one
PubChem CID18713624
Molecular FormulaC13H12F4N2O2
Molecular Weight304.24 g/mol
Exact Mass304.08
IUPAC Name1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one
SMILESCn1ccn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O
InChIInChI=1S/C13H12F4N2O2/c1-18-6-7-19(12(18)20)9-2-4-10(5-3-9)21-8-13(16,17)11(14)15/h2-7,11H,8H2,1H3
InChIKeyDLUNUPYROGAZKH-UHFFFAOYSA-N
XLogP2.46
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one (CID 18713624) is 1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one is Cn1ccn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O.
What is the InChIKey of 1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one?
The InChIKey is DLUNUPYROGAZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O2/c1-18-6-7-19(12(18)20)9-2-4-10(5-3-9)21-8-13(16,17)11(14)15/h2-7,11H,8H2,1H3.
What are the key properties of 1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one?
1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one has a molecular weight of 304.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-2-one is sourced from PubChem (CID 18713624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).