1-ethoxy-2-fluoro-4-iodo-3-methylbenzene

C9H10FIO — CID 164891728

IUPAC1-ethoxy-2-fluoro-4-iodo-3-methylbenzene
SMILESCCOc1ccc(I)c(C)c1F
InChIInChI=1S/C9H10FIO/c1-3-12-8-5-4-7(11)6(2)9(8)10/h4-5H,3H2,1-2H3
InChIKeyGTKYSVYFEGFZAO-UHFFFAOYSA-N
MW280.08 g/mol
LogP3.14
Rot. Bonds2

About 1-ethoxy-2-fluoro-4-iodo-3-methylbenzene

1-ethoxy-2-fluoro-4-iodo-3-methylbenzene (PubChem CID 164891728) has the molecular formula C9H10FIO and a molecular weight of 280.08 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-4-iodo-3-methylbenzene.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-4-iodo-3-methylbenzene
PubChem CID164891728
Molecular FormulaC9H10FIO
Molecular Weight280.08 g/mol
Exact Mass279.98
IUPAC Name1-ethoxy-2-fluoro-4-iodo-3-methylbenzene
SMILESCCOc1ccc(I)c(C)c1F
InChIInChI=1S/C9H10FIO/c1-3-12-8-5-4-7(11)6(2)9(8)10/h4-5H,3H2,1-2H3
InChIKeyGTKYSVYFEGFZAO-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

1-chloro-4-ethoxy-3-fluoro-2-iodobenzene
CID 164894138
2,3-difluoro-1-iodo-4-pentoxybenzene
CID 20632201
2-ethoxy-3-fluoro-1,4-diiodobenzene
CID 118852860
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
3-fluoro-1-iodo-2,4-dimethylbenzene
CID 129014010
2,3-difluoro-1-hexoxy-4-iodobenzene
CID 57049487
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone
CID 171013572
(4-ethoxy-2,3-difluorophenoxy)-oxoborane
CID 139945985
(3,6-diethoxy-2-fluorophenyl)methanol
CID 164895475
(4-ethoxy-2,3-difluorophenyl)-trimethylsilane
CID 15751975
1-ethoxy-2-fluoro-4-iodobenzene
CID 50998221

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluoro-4-iodo-3-methylbenzene?
The IUPAC name of 1-ethoxy-2-fluoro-4-iodo-3-methylbenzene (CID 164891728) is 1-ethoxy-2-fluoro-4-iodo-3-methylbenzene.
What is the SMILES notation for 1-ethoxy-2-fluoro-4-iodo-3-methylbenzene?
The canonical SMILES for 1-ethoxy-2-fluoro-4-iodo-3-methylbenzene is CCOc1ccc(I)c(C)c1F.
What is the InChIKey of 1-ethoxy-2-fluoro-4-iodo-3-methylbenzene?
The InChIKey is GTKYSVYFEGFZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FIO/c1-3-12-8-5-4-7(11)6(2)9(8)10/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethoxy-2-fluoro-4-iodo-3-methylbenzene?
1-ethoxy-2-fluoro-4-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 1-ethoxy-2-fluoro-4-iodo-3-methylbenzene is sourced from PubChem (CID 164891728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).