2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone

C10H9F3O2 — CID 115782948

IUPAC2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone
SMILESCCOCC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H9F3O2/c1-2-15-5-9(14)10-7(12)3-6(11)4-8(10)13/h3-4H,2,5H2,1H3
InChIKeyJSLHROVYGUAZJP-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.32
Rot. Bonds4

About 2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone

2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone (PubChem CID 115782948) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone
PubChem CID115782948
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone
SMILESCCOCC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H9F3O2/c1-2-15-5-9(14)10-7(12)3-6(11)4-8(10)13/h3-4H,2,5H2,1H3
InChIKeyJSLHROVYGUAZJP-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone
CID 115782966
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanone
CID 114885507
1-(2,4,6-trifluorophenyl)hexan-1-one
CID 43160560
1-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)ethanone
CID 43798375
1-(2,4-difluoro-5-methylphenyl)-2-ethoxyethanone
CID 115783021
3-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-one
CID 114969576
1-(3,5-difluorophenyl)-3-ethoxypropan-2-one
CID 79566603
1-(2,4,6-trifluorophenyl)but-3-yn-1-one
CID 114961965
ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate
CID 69304551
N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide
CID 62295850
3-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880998
2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone
CID 43800204

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone?
The IUPAC name of 2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone (CID 115782948) is 2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone?
The canonical SMILES for 2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone is CCOCC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone?
The InChIKey is JSLHROVYGUAZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-2-15-5-9(14)10-7(12)3-6(11)4-8(10)13/h3-4H,2,5H2,1H3.
What are the key properties of 2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone?
2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone has a molecular weight of 218.17 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone is sourced from PubChem (CID 115782948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).