4-(1,1-difluoroethoxymethyl)-1-phenylimidazole

C12H12F2N2O — CID 68641635

IUPAC4-(1,1-difluoroethoxymethyl)-1-phenylimidazole
SMILESCC(F)(F)OCc1cn(-c2ccccc2)cn1
InChIInChI=1S/C12H12F2N2O/c1-12(13,14)17-8-10-7-16(9-15-10)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyIGFDVOXPHQVJTC-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.00
Rot. Bonds4

About 4-(1,1-difluoroethoxymethyl)-1-phenylimidazole

4-(1,1-difluoroethoxymethyl)-1-phenylimidazole (PubChem CID 68641635) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-(1,1-difluoroethoxymethyl)-1-phenylimidazole.

Molecular Properties

Compound Name4-(1,1-difluoroethoxymethyl)-1-phenylimidazole
PubChem CID68641635
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name4-(1,1-difluoroethoxymethyl)-1-phenylimidazole
SMILESCC(F)(F)OCc1cn(-c2ccccc2)cn1
InChIInChI=1S/C12H12F2N2O/c1-12(13,14)17-8-10-7-16(9-15-10)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyIGFDVOXPHQVJTC-UHFFFAOYSA-N
XLogP3.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethoxymethyl)-1-phenylimidazole?
The IUPAC name of 4-(1,1-difluoroethoxymethyl)-1-phenylimidazole (CID 68641635) is 4-(1,1-difluoroethoxymethyl)-1-phenylimidazole.
What is the SMILES notation for 4-(1,1-difluoroethoxymethyl)-1-phenylimidazole?
The canonical SMILES for 4-(1,1-difluoroethoxymethyl)-1-phenylimidazole is CC(F)(F)OCc1cn(-c2ccccc2)cn1.
What is the InChIKey of 4-(1,1-difluoroethoxymethyl)-1-phenylimidazole?
The InChIKey is IGFDVOXPHQVJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-12(13,14)17-8-10-7-16(9-15-10)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3.
What are the key properties of 4-(1,1-difluoroethoxymethyl)-1-phenylimidazole?
4-(1,1-difluoroethoxymethyl)-1-phenylimidazole has a molecular weight of 238.24 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethoxymethyl)-1-phenylimidazole is sourced from PubChem (CID 68641635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).