1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone

C14H14F2N2O2 — CID 115783554

IUPAC1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H14F2N2O2/c1-2-18-7-6-17-13(18)9-12(19)10-4-3-5-11(8-10)20-14(15)16/h3-8,14H,2,9H2,1H3
InChIKeyHSCAMYOYKOSXGY-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.93
Rot. Bonds6

About 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone

1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 115783554) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID115783554
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H14F2N2O2/c1-2-18-7-6-17-13(18)9-12(19)10-4-3-5-11(8-10)20-14(15)16/h3-8,14H,2,9H2,1H3
InChIKeyHSCAMYOYKOSXGY-UHFFFAOYSA-N
XLogP2.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744909
1-[3-(difluoromethoxy)phenyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 114979951
1-(3,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744270
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115783615
1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79743921
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(difluoromethoxy)phenyl]ethanone
CID 114979204
1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783528
2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
CID 115783583
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
1-[3-(difluoromethoxy)phenyl]-5,5,5-trifluoropentan-1-one
CID 115792223
1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
CID 43797792
3-amino-1-[3-(difluoromethoxy)phenyl]butan-1-one
CID 81463565

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone (CID 115783554) is 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1CC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is HSCAMYOYKOSXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-2-18-7-6-17-13(18)9-12(19)10-4-3-5-11(8-10)20-14(15)16/h3-8,14H,2,9H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone?
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 280.27 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 115783554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).