4-fluoro-5-iodo-2,3-dihydro-1-benzofuran

C8H6FIO — CID 176929193

IUPAC4-fluoro-5-iodo-2,3-dihydro-1-benzofuran
SMILESFc1c(I)ccc2c1CCO2
InChIInChI=1S/C8H6FIO/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-2H,3-4H2
InChIKeyRWWAHIZAFXCWJH-UHFFFAOYSA-N
MW264.04 g/mol
LogP2.37
Rot. Bonds

About 4-fluoro-5-iodo-2,3-dihydro-1-benzofuran

4-fluoro-5-iodo-2,3-dihydro-1-benzofuran (PubChem CID 176929193) has the molecular formula C8H6FIO and a molecular weight of 264.04 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-fluoro-5-iodo-2,3-dihydro-1-benzofuran
PubChem CID176929193
Molecular FormulaC8H6FIO
Molecular Weight264.04 g/mol
Exact Mass263.94
IUPAC Name4-fluoro-5-iodo-2,3-dihydro-1-benzofuran
SMILESFc1c(I)ccc2c1CCO2
InChIInChI=1S/C8H6FIO/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-2H,3-4H2
InChIKeyRWWAHIZAFXCWJH-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 52.37
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

4-fluoro-2,3-dihydro-1-benzofuran-5-amine
CID 82373061
2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
CID 117380021
5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde
CID 117273159
[1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 117315929
3-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropanoic acid
CID 117348785
4-fluoro-5-(1-isocyanatocyclopentyl)-2,3-dihydro-1-benzofuran
CID 117370100
5-bromo-4-chloro-2,3-dihydro-1-benzofuran
CID 82374686
ethyl 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetate
CID 117352699
(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 84769578
(3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130722439
2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117285919

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-fluoro-5-iodo-2,3-dihydro-1-benzofuran (CID 176929193) is 4-fluoro-5-iodo-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-fluoro-5-iodo-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-fluoro-5-iodo-2,3-dihydro-1-benzofuran is Fc1c(I)ccc2c1CCO2.
What is the InChIKey of 4-fluoro-5-iodo-2,3-dihydro-1-benzofuran?
The InChIKey is RWWAHIZAFXCWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FIO/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-2H,3-4H2.
What are the key properties of 4-fluoro-5-iodo-2,3-dihydro-1-benzofuran?
4-fluoro-5-iodo-2,3-dihydro-1-benzofuran has a molecular weight of 264.04 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 176929193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).