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

C12H10F4N2O2 — CID 10493689

IUPAC3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(OCC(F)(F)C(F)F)cc1
InChIInChI=1S/C12H10F4N2O2/c13-10(14)12(15,16)7-20-9-3-1-8(2-4-9)18-6-5-17-11(18)19/h1-6,10H,7H2,(H,17,19)
InChIKeyAZYAZXCZGOUZPT-UHFFFAOYSA-N
MW290.22 g/mol
LogP2.44
Rot. Bonds5

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

3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one (PubChem CID 10493689) has the molecular formula C12H10F4N2O2 and a molecular weight of 290.22 g/mol. Its IUPAC name is 3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one
PubChem CID10493689
Molecular FormulaC12H10F4N2O2
Molecular Weight290.22 g/mol
Exact Mass290.07
IUPAC Name3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(OCC(F)(F)C(F)F)cc1
InChIInChI=1S/C12H10F4N2O2/c13-10(14)12(15,16)7-20-9-3-1-8(2-4-9)18-6-5-17-11(18)19/h1-6,10H,7H2,(H,17,19)
InChIKeyAZYAZXCZGOUZPT-UHFFFAOYSA-N
XLogP2.44
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one (CID 10493689) is 3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one is O=c1[nH]ccn1-c1ccc(OCC(F)(F)C(F)F)cc1.
What is the InChIKey of 3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one?
The InChIKey is AZYAZXCZGOUZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O2/c13-10(14)12(15,16)7-20-9-3-1-8(2-4-9)18-6-5-17-11(18)19/h1-6,10H,7H2,(H,17,19).
What are the key properties of 3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one?
3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one has a molecular weight of 290.22 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 10493689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).