1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone

C10H10FIO2 — CID 131310771

IUPAC1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone
SMILESCCOc1cc(I)cc(F)c1C(C)=O
InChIInChI=1S/C10H10FIO2/c1-3-14-9-5-7(12)4-8(11)10(9)6(2)13/h4-5H,3H2,1-2H3
InChIKeyCVDNZIIMAJZBEH-UHFFFAOYSA-N
MW308.09 g/mol
LogP3.03
Rot. Bonds3

About 1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone

1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone (PubChem CID 131310771) has the molecular formula C10H10FIO2 and a molecular weight of 308.09 g/mol. Its IUPAC name is 1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone
PubChem CID131310771
Molecular FormulaC10H10FIO2
Molecular Weight308.09 g/mol
Exact Mass307.97
IUPAC Name1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone
SMILESCCOc1cc(I)cc(F)c1C(C)=O
InChIInChI=1S/C10H10FIO2/c1-3-14-9-5-7(12)4-8(11)10(9)6(2)13/h4-5H,3H2,1-2H3
InChIKeyCVDNZIIMAJZBEH-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 53.03
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

1-(2-ethoxy-4-iodophenyl)ethanone
CID 170996658
1-(4-acetyl-3,5-diethoxyphenyl)ethanone
CID 155595563
1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone
CID 171033650
1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone
CID 131310764
1-ethoxy-2-fluoro-4-iodobenzene
CID 50998221
1-(2,4-diethoxy-6-hydroxyphenyl)ethanone
CID 819891
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone
CID 155158282
1-(3-ethoxy-2-iodo-6-methylphenyl)ethanone
CID 171013372
1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone
CID 171013572
1-[6-ethoxy-3-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171020281
1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone
CID 171018286

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone?
The IUPAC name of 1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone (CID 131310771) is 1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone?
The canonical SMILES for 1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone is CCOc1cc(I)cc(F)c1C(C)=O.
What is the InChIKey of 1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone?
The InChIKey is CVDNZIIMAJZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FIO2/c1-3-14-9-5-7(12)4-8(11)10(9)6(2)13/h4-5H,3H2,1-2H3.
What are the key properties of 1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone?
1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone has a molecular weight of 308.09 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone is sourced from PubChem (CID 131310771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).