(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone

C16H10FIO2 — CID 103606798

IUPAC(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
SMILESCc1c(C(=O)c2ccc(I)cc2)oc2ccc(F)cc12
InChIInChI=1S/C16H10FIO2/c1-9-13-8-11(17)4-7-14(13)20-16(9)15(19)10-2-5-12(18)6-3-10/h2-8H,1H3
InChIKeyCKNXWHLRZVVKGO-UHFFFAOYSA-N
MW380.16 g/mol
LogP4.72
Rot. Bonds2

About (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone

(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone (PubChem CID 103606798) has the molecular formula C16H10FIO2 and a molecular weight of 380.16 g/mol. Its IUPAC name is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
PubChem CID103606798
Molecular FormulaC16H10FIO2
Molecular Weight380.16 g/mol
Exact Mass379.97
IUPAC Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
SMILESCc1c(C(=O)c2ccc(I)cc2)oc2ccc(F)cc12
InChIInChI=1S/C16H10FIO2/c1-9-13-8-11(17)4-7-14(13)20-16(9)15(19)10-2-5-12(18)6-3-10/h2-8H,1H3
InChIKeyCKNXWHLRZVVKGO-UHFFFAOYSA-N
XLogP4.72
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.16
LogP ≤ 54.72
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

(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723127
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606800
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 105122775
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 79003791
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-one
CID 105112935
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 112723138
2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 110828689
(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 78907025
(4-methoxycarbonylphenyl) 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 18280346
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 63549321
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093299

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone?
The IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone (CID 103606798) is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone.
What is the SMILES notation for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone?
The canonical SMILES for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone is Cc1c(C(=O)c2ccc(I)cc2)oc2ccc(F)cc12.
What is the InChIKey of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone?
The InChIKey is CKNXWHLRZVVKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FIO2/c1-9-13-8-11(17)4-7-14(13)20-16(9)15(19)10-2-5-12(18)6-3-10/h2-8H,1H3.
What are the key properties of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone?
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone has a molecular weight of 380.16 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone is sourced from PubChem (CID 103606798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).