5-ethoxy-2-fluoro-1-iodo-3-methylbenzene

C9H10FIO — CID 131287027

IUPAC5-ethoxy-2-fluoro-1-iodo-3-methylbenzene
SMILESCCOc1cc(C)c(F)c(I)c1
InChIInChI=1S/C9H10FIO/c1-3-12-7-4-6(2)9(10)8(11)5-7/h4-5H,3H2,1-2H3
InChIKeyGHJYYXAJLYOFTQ-UHFFFAOYSA-N
MW280.08 g/mol
LogP3.14
Rot. Bonds2

About 5-ethoxy-2-fluoro-1-iodo-3-methylbenzene

5-ethoxy-2-fluoro-1-iodo-3-methylbenzene (PubChem CID 131287027) has the molecular formula C9H10FIO and a molecular weight of 280.08 g/mol. Its IUPAC name is 5-ethoxy-2-fluoro-1-iodo-3-methylbenzene.

Molecular Properties

Compound Name5-ethoxy-2-fluoro-1-iodo-3-methylbenzene
PubChem CID131287027
Molecular FormulaC9H10FIO
Molecular Weight280.08 g/mol
Exact Mass279.98
IUPAC Name5-ethoxy-2-fluoro-1-iodo-3-methylbenzene
SMILESCCOc1cc(C)c(F)c(I)c1
InChIInChI=1S/C9H10FIO/c1-3-12-7-4-6(2)9(10)8(11)5-7/h4-5H,3H2,1-2H3
InChIKeyGHJYYXAJLYOFTQ-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxytoluene
CID 7530
1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
CID 97354
3-Phenoxytoluene
CID 19165
4-Fluorophenetole
CID 68018
4-Ethoxystyrene
CID 79570
1-(4-Chlorobutoxy)-3-methylbenzene
CID 96478
3-(Trifluoromethyl)anisole
CID 96691
2-Fluorophenetole
CID 136291
Allyl o-tolyl ether
CID 136749
((m-Tolyloxy)methyl)oxirane
CID 98180
3-Ethoxytoluene
CID 69305
Benzene, 1-ethoxy-4-methyl-
CID 73955

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-fluoro-1-iodo-3-methylbenzene?
The IUPAC name of 5-ethoxy-2-fluoro-1-iodo-3-methylbenzene (CID 131287027) is 5-ethoxy-2-fluoro-1-iodo-3-methylbenzene.
What is the SMILES notation for 5-ethoxy-2-fluoro-1-iodo-3-methylbenzene?
The canonical SMILES for 5-ethoxy-2-fluoro-1-iodo-3-methylbenzene is CCOc1cc(C)c(F)c(I)c1.
What is the InChIKey of 5-ethoxy-2-fluoro-1-iodo-3-methylbenzene?
The InChIKey is GHJYYXAJLYOFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FIO/c1-3-12-7-4-6(2)9(10)8(11)5-7/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethoxy-2-fluoro-1-iodo-3-methylbenzene?
5-ethoxy-2-fluoro-1-iodo-3-methylbenzene has a molecular weight of 280.08 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-fluoro-1-iodo-3-methylbenzene is sourced from PubChem (CID 131287027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).