1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone

C11H10F3IO2 — CID 171020211

IUPAC1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone
SMILESCCOc1c(I)ccc(C(F)(F)F)c1C(C)=O
InChIInChI=1S/C11H10F3IO2/c1-3-17-10-8(15)5-4-7(11(12,13)14)9(10)6(2)16/h4-5H,3H2,1-2H3
InChIKeyAGRYTEBXCUEFTG-UHFFFAOYSA-N
MW358.10 g/mol
LogP3.91
Rot. Bonds3

About 1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone

1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone (PubChem CID 171020211) has the molecular formula C11H10F3IO2 and a molecular weight of 358.10 g/mol. Its IUPAC name is 1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone
PubChem CID171020211
Molecular FormulaC11H10F3IO2
Molecular Weight358.10 g/mol
Exact Mass357.97
IUPAC Name1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone
SMILESCCOc1c(I)ccc(C(F)(F)F)c1C(C)=O
InChIInChI=1S/C11H10F3IO2/c1-3-17-10-8(15)5-4-7(11(12,13)14)9(10)6(2)16/h4-5H,3H2,1-2H3
InChIKeyAGRYTEBXCUEFTG-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.10
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-2-ethoxy-4-(trifluoromethyl)benzaldehyde
CID 171022119
1-[3-ethoxy-4-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171020983
1-[2-fluoro-6-iodo-3-(trifluoromethyl)phenyl]ethanone
CID 171012571
1-[6-ethoxy-3-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171020281
1-[3-hydroxy-2-iodo-6-(trifluoromethyl)phenyl]ethanone
CID 171025509
1-[3-bromo-2-ethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 171001210
1-[3-ethoxy-2-nitro-6-(trifluoromethyl)phenyl]ethanone
CID 171033763
1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone
CID 171013572
1-[2-ethyl-6-(trifluoromethyl)phenyl]ethanone
CID 149400336
1-[3-amino-2-(difluoromethoxy)-6-(trifluoromethyl)phenyl]ethanone
CID 171034021
2-ethoxy-3-fluoro-1,4-diiodobenzene
CID 118852860
4-acetyl-3-iodo-5-(trifluoromethyl)benzonitrile
CID 171024784

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone (CID 171020211) is 1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone is CCOc1c(I)ccc(C(F)(F)F)c1C(C)=O.
What is the InChIKey of 1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone?
The InChIKey is AGRYTEBXCUEFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3IO2/c1-3-17-10-8(15)5-4-7(11(12,13)14)9(10)6(2)16/h4-5H,3H2,1-2H3.
What are the key properties of 1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone?
1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone has a molecular weight of 358.10 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171020211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).