(2-fluoro-5-iodophenyl)-dimethylborane

C8H9BFI — CID 58436945

IUPAC(2-fluoro-5-iodophenyl)-dimethylborane
SMILESCB(C)c1cc(I)ccc1F
InChIInChI=1S/C8H9BFI/c1-9(2)7-5-6(11)3-4-8(7)10/h3-5H,1-2H3
InChIKeyGSQQLMWZQZKLMS-UHFFFAOYSA-N
MW261.87 g/mol
LogP2.39
Rot. Bonds1

About (2-fluoro-5-iodophenyl)-dimethylborane

(2-fluoro-5-iodophenyl)-dimethylborane (PubChem CID 58436945) has the molecular formula C8H9BFI and a molecular weight of 261.87 g/mol. Its IUPAC name is (2-fluoro-5-iodophenyl)-dimethylborane.

Molecular Properties

Compound Name(2-fluoro-5-iodophenyl)-dimethylborane
PubChem CID58436945
Molecular FormulaC8H9BFI
Molecular Weight261.87 g/mol
Exact Mass261.98
IUPAC Name(2-fluoro-5-iodophenyl)-dimethylborane
SMILESCB(C)c1cc(I)ccc1F
InChIInChI=1S/C8H9BFI/c1-9(2)7-5-6(11)3-4-8(7)10/h3-5H,1-2H3
InChIKeyGSQQLMWZQZKLMS-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.87
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-4-iodobenzene
CID 2724444
[2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane
CID 58436952
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
CID 88897782
CID 88897782
(2-fluoro-5-iodophenyl)silane
CID 159213393
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
CID 131032773
1-fluoro-4-iodo-2-(methoxymethyl)benzene
CID 146035295
(2-bromo-5-iodophenyl)boronic acid
CID 74892423
1-chloro-2-fluoro-4-iodobenzene
CID 2736563
(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
CID 131016633
(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
CID 131075545
methyl 2-fluoro-5-iodobenzoate
CID 24820379

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-iodophenyl)-dimethylborane?
The IUPAC name of (2-fluoro-5-iodophenyl)-dimethylborane (CID 58436945) is (2-fluoro-5-iodophenyl)-dimethylborane.
What is the SMILES notation for (2-fluoro-5-iodophenyl)-dimethylborane?
The canonical SMILES for (2-fluoro-5-iodophenyl)-dimethylborane is CB(C)c1cc(I)ccc1F.
What is the InChIKey of (2-fluoro-5-iodophenyl)-dimethylborane?
The InChIKey is GSQQLMWZQZKLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BFI/c1-9(2)7-5-6(11)3-4-8(7)10/h3-5H,1-2H3.
What are the key properties of (2-fluoro-5-iodophenyl)-dimethylborane?
(2-fluoro-5-iodophenyl)-dimethylborane has a molecular weight of 261.87 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-iodophenyl)-dimethylborane is sourced from PubChem (CID 58436945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).