2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol

C8H12F2N2O2 — CID 106952337

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol
SMILESCn1cc(O)nc1CCOCC(F)F
InChIInChI=1S/C8H12F2N2O2/c1-12-4-8(13)11-7(12)2-3-14-5-6(9)10/h4,6,13H,2-3,5H2,1H3
InChIKeyVVNPJYXGBVEILE-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.95
Rot. Bonds5

About 2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol

2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol (PubChem CID 106952337) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol
PubChem CID106952337
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol
SMILESCn1cc(O)nc1CCOCC(F)F
InChIInChI=1S/C8H12F2N2O2/c1-12-4-8(13)11-7(12)2-3-14-5-6(9)10/h4,6,13H,2-3,5H2,1H3
InChIKeyVVNPJYXGBVEILE-UHFFFAOYSA-N
XLogP0.95
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-1-methylimidazol-4-ol?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol (CID 106952337) is 2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol is Cn1cc(O)nc1CCOCC(F)F.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol?
The InChIKey is VVNPJYXGBVEILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c1-12-4-8(13)11-7(12)2-3-14-5-6(9)10/h4,6,13H,2-3,5H2,1H3.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol?
2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol has a molecular weight of 206.19 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-1-methylimidazol-4-ol is sourced from PubChem (CID 106952337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).