1,2-diethoxy-5-fluoro-3-iodobenzene

C10H12FIO2 — CID 164896082

IUPAC1,2-diethoxy-5-fluoro-3-iodobenzene
SMILESCCOc1cc(F)cc(I)c1OCC
InChIInChI=1S/C10H12FIO2/c1-3-13-9-6-7(11)5-8(12)10(9)14-4-2/h5-6H,3-4H2,1-2H3
InChIKeyABWGBNAQESJIAB-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.23
Rot. Bonds4

About 1,2-diethoxy-5-fluoro-3-iodobenzene

1,2-diethoxy-5-fluoro-3-iodobenzene (PubChem CID 164896082) has the molecular formula C10H12FIO2 and a molecular weight of 310.11 g/mol. Its IUPAC name is 1,2-diethoxy-5-fluoro-3-iodobenzene.

Molecular Properties

Compound Name1,2-diethoxy-5-fluoro-3-iodobenzene
PubChem CID164896082
Molecular FormulaC10H12FIO2
Molecular Weight310.11 g/mol
Exact Mass309.99
IUPAC Name1,2-diethoxy-5-fluoro-3-iodobenzene
SMILESCCOc1cc(F)cc(I)c1OCC
InChIInChI=1S/C10H12FIO2/c1-3-13-9-6-7(11)5-8(12)10(9)14-4-2/h5-6H,3-4H2,1-2H3
InChIKeyABWGBNAQESJIAB-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.23
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

2,4-diethoxy-1,3-difluoro-5-iodobenzene
CID 50998226
N-[(3,4-diethoxy-5-iodophenyl)methyl]ethanamine
CID 2213024
ethane;1-ethoxy-3,5-difluoro-2-methylbenzene
CID 169134909
N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methyl]-4-fluoroaniline
CID 126207922
2-ethoxy-5-fluoro-1-(2-methylpropoxy)-3-methylsulfanylbenzene
CID 164896097
2-ethoxy-3-fluoro-1,4-diiodobenzene
CID 118852860
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
1,2,3-triethoxy-5-ethylbenzene
CID 91457664
3,4,5-triethoxyphenol
CID 19754898
1-ethoxy-4-fluoro-5-iodo-2-methoxybenzene
CID 59838060
2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene
CID 58516556
(3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine
CID 168530777

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-5-fluoro-3-iodobenzene?
The IUPAC name of 1,2-diethoxy-5-fluoro-3-iodobenzene (CID 164896082) is 1,2-diethoxy-5-fluoro-3-iodobenzene.
What is the SMILES notation for 1,2-diethoxy-5-fluoro-3-iodobenzene?
The canonical SMILES for 1,2-diethoxy-5-fluoro-3-iodobenzene is CCOc1cc(F)cc(I)c1OCC.
What is the InChIKey of 1,2-diethoxy-5-fluoro-3-iodobenzene?
The InChIKey is ABWGBNAQESJIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FIO2/c1-3-13-9-6-7(11)5-8(12)10(9)14-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,2-diethoxy-5-fluoro-3-iodobenzene?
1,2-diethoxy-5-fluoro-3-iodobenzene has a molecular weight of 310.11 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-5-fluoro-3-iodobenzene is sourced from PubChem (CID 164896082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).