CID 88897782

C6H3BFI — CID 88897782

IUPAC—
SMILES[B]c1cc(I)ccc1F
InChIInChI=1S/C6H3BFI/c7-5-3-4(9)1-2-6(5)8/h1-3H
InChIKeyMCLHENLGFBFYHF-UHFFFAOYSA-N
MW231.80 g/mol
LogP1.22
Rot. Bonds

About CID 88897782

CID 88897782 (PubChem CID 88897782) has the molecular formula C6H3BFI and a molecular weight of 231.80 g/mol.

Molecular Properties

Compound NameCID 88897782
PubChem CID88897782
Molecular FormulaC6H3BFI
Molecular Weight231.80 g/mol
Exact Mass231.94
IUPAC Name—
SMILES[B]c1cc(I)ccc1F
InChIInChI=1S/C6H3BFI/c7-5-3-4(9)1-2-6(5)8/h1-3H
InChIKeyMCLHENLGFBFYHF-UHFFFAOYSA-N
XLogP1.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.80
LogP ≤ 51.22
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-iodophenyl)silane
CID 159213393
1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene
CID 134630207
(2-fluoro-5-iodophenyl)-dimethylborane
CID 58436945
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
1-chloro-2-fluoro-4-iodobenzene
CID 2736563
(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
CID 131075545
1-fluoro-4-iodo-2-(nitrosomethyl)benzene
CID 90707438
CID 155601533
CID 155601533
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
CID 131032773
1-fluoro-4-iodo-2-nitrobenzene
CID 14590582
2-fluoro-4-iodo-1-(trifluoromethyl)benzene
CID 2737343

Frequently Asked Questions

What is the IUPAC name of CID 88897782?
The IUPAC name of CID 88897782 (CID 88897782) is not available.
What is the SMILES notation for CID 88897782?
The canonical SMILES for CID 88897782 is [B]c1cc(I)ccc1F.
What is the InChIKey of CID 88897782?
The InChIKey is MCLHENLGFBFYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BFI/c7-5-3-4(9)1-2-6(5)8/h1-3H.
What are the key properties of CID 88897782?
CID 88897782 has a molecular weight of 231.80 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88897782 is sourced from PubChem (CID 88897782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).