(4-fluoro-2-methylphenyl)-dimethylborane

C9H12BF — CID 59420238

IUPAC(4-fluoro-2-methylphenyl)-dimethylborane
SMILESCB(C)c1ccc(F)cc1C
InChIInChI=1S/C9H12BF/c1-7-6-8(11)4-5-9(7)10(2)3/h4-6H,1-3H3
InChIKeyMNJUYWPMYPCBOC-UHFFFAOYSA-N
MW150.00 g/mol
LogP2.10
Rot. Bonds1

About (4-fluoro-2-methylphenyl)-dimethylborane

(4-fluoro-2-methylphenyl)-dimethylborane (PubChem CID 59420238) has the molecular formula C9H12BF and a molecular weight of 150.00 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-dimethylborane.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-dimethylborane
PubChem CID59420238
Molecular FormulaC9H12BF
Molecular Weight150.00 g/mol
Exact Mass150.10
IUPAC Name(4-fluoro-2-methylphenyl)-dimethylborane
SMILESCB(C)c1ccc(F)cc1C
InChIInChI=1S/C9H12BF/c1-7-6-8(11)4-5-9(7)10(2)3/h4-6H,1-3H3
InChIKeyMNJUYWPMYPCBOC-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.00
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-methylbenzaldehyde
CID 2783217
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
4-fluoro-2-methyl-1-methylsulfanylbenzene
CID 53414601
4-fluoro-2-methylphenol;zirconium
CID 174391374
bis(4-fluoro-2-methylphenyl)iodanium
CID 162490198
magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride
CID 24722704
3,6-difluoro-1-methylnaphthalene
CID 138605249
1-(dimethoxymethyl)-4-fluoro-2-methylbenzene
CID 135381934
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
difluoro-(4-fluoro-2-methylphenyl)-λ3-iodane
CID 157382093
1-(4-fluoro-2-methylphenyl)piperidine;methanol
CID 159526986
2-(4-fluoro-2-methylphenyl)-3,4-dihydropyrazol-5-amine
CID 83233296

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-dimethylborane?
The IUPAC name of (4-fluoro-2-methylphenyl)-dimethylborane (CID 59420238) is (4-fluoro-2-methylphenyl)-dimethylborane.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-dimethylborane?
The canonical SMILES for (4-fluoro-2-methylphenyl)-dimethylborane is CB(C)c1ccc(F)cc1C.
What is the InChIKey of (4-fluoro-2-methylphenyl)-dimethylborane?
The InChIKey is MNJUYWPMYPCBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BF/c1-7-6-8(11)4-5-9(7)10(2)3/h4-6H,1-3H3.
What are the key properties of (4-fluoro-2-methylphenyl)-dimethylborane?
(4-fluoro-2-methylphenyl)-dimethylborane has a molecular weight of 150.00 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-dimethylborane is sourced from PubChem (CID 59420238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).