2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one

C9H14F2N2O2 — CID 106953349

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(CCOCC(F)F)NC1=O
InChIInChI=1S/C9H14F2N2O2/c1-9(2)8(14)12-7(13-9)3-4-15-5-6(10)11/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyQIDUXVDCQCNNFX-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.97
Rot. Bonds5

About 2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one

2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one (PubChem CID 106953349) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one
PubChem CID106953349
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(CCOCC(F)F)NC1=O
InChIInChI=1S/C9H14F2N2O2/c1-9(2)8(14)12-7(13-9)3-4-15-5-6(10)11/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyQIDUXVDCQCNNFX-UHFFFAOYSA-N
XLogP0.97
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one (CID 106953349) is 2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one is CC1(C)N=C(CCOCC(F)F)NC1=O.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one?
The InChIKey is QIDUXVDCQCNNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c1-9(2)8(14)12-7(13-9)3-4-15-5-6(10)11/h6H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one?
2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one has a molecular weight of 220.22 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 106953349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).