1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone

C10H10FIO2 — CID 131310764

IUPAC1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone
SMILESCCOc1cc(I)c(C(C)=O)cc1F
InChIInChI=1S/C10H10FIO2/c1-3-14-10-5-9(12)7(6(2)13)4-8(10)11/h4-5H,3H2,1-2H3
InChIKeyMGTPEVNWLAQJPB-UHFFFAOYSA-N
MW308.09 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone

1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone (PubChem CID 131310764) has the molecular formula C10H10FIO2 and a molecular weight of 308.09 g/mol. Its IUPAC name is 1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone
PubChem CID131310764
Molecular FormulaC10H10FIO2
Molecular Weight308.09 g/mol
Exact Mass307.97
IUPAC Name1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone
SMILESCCOc1cc(I)c(C(C)=O)cc1F
InChIInChI=1S/C10H10FIO2/c1-3-14-10-5-9(12)7(6(2)13)4-8(10)11/h4-5H,3H2,1-2H3
InChIKeyMGTPEVNWLAQJPB-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

2-bromo-4-ethoxy-5-fluorobenzoic acid
CID 126980084
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone
CID 131310771
1-(2-ethoxy-4-iodophenyl)ethanone
CID 170996658
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
CID 171001298
4-bromo-2-ethoxy-5-fluorobenzoic acid
CID 130090927
4-ethoxy-5-fluoro-2-(trifluoromethyl)benzoic acid
CID 171002908
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
2-acetyl-5-ethoxy-4-iodobenzonitrile
CID 131546917
1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone
CID 171033650
1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone
CID 171033703

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone?
The IUPAC name of 1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone (CID 131310764) is 1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone.
What is the SMILES notation for 1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone?
The canonical SMILES for 1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone is CCOc1cc(I)c(C(C)=O)cc1F.
What is the InChIKey of 1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone?
The InChIKey is MGTPEVNWLAQJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FIO2/c1-3-14-10-5-9(12)7(6(2)13)4-8(10)11/h4-5H,3H2,1-2H3.
What are the key properties of 1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone?
1-(4-ethoxy-5-fluoro-2-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-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone is sourced from PubChem (CID 131310764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).