(2-chloro-6-fluorophenyl)-dimethylborane

C8H9BClF — CID 67978449

IUPAC(2-chloro-6-fluorophenyl)-dimethylborane
SMILESCB(C)c1c(F)cccc1Cl
InChIInChI=1S/C8H9BClF/c1-9(2)8-6(10)4-3-5-7(8)11/h3-5H,1-2H3
InChIKeyVUPLBDBHTRRPGJ-UHFFFAOYSA-N
MW170.42 g/mol
LogP2.44
Rot. Bonds1

About (2-chloro-6-fluorophenyl)-dimethylborane

(2-chloro-6-fluorophenyl)-dimethylborane (PubChem CID 67978449) has the molecular formula C8H9BClF and a molecular weight of 170.42 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-dimethylborane.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-dimethylborane
PubChem CID67978449
Molecular FormulaC8H9BClF
Molecular Weight170.42 g/mol
Exact Mass170.05
IUPAC Name(2-chloro-6-fluorophenyl)-dimethylborane
SMILESCB(C)c1c(F)cccc1Cl
InChIInChI=1S/C8H9BClF/c1-9(2)8-6(10)4-3-5-7(8)11/h3-5H,1-2H3
InChIKeyVUPLBDBHTRRPGJ-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.42
LogP ≤ 52.44
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

(2,6-dichlorophenyl)boronic acid
CID 2734332
1-chloro-2,3-difluorobenzene
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1-(2-chloro-6-fluorophenyl)-N-methylmethanimine
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(2-chloro-6-methylsulfanylphenyl)boronic acid
CID 151722806
(2-butoxy-6-fluorophenyl)-dimethylborane
CID 67978515
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
1-chloro-2-fluorobenzene;propan-2-one
CID 174355607
3-[chloro-(2-chloro-6-fluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63433736
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
2-[chloro-(2-chloro-6-fluorophenyl)methylidene]butanenitrile
CID 76922358
CID 167462330
CID 167462330
1-chloro-8-fluorotriphenylene
CID 149499573

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-dimethylborane?
The IUPAC name of (2-chloro-6-fluorophenyl)-dimethylborane (CID 67978449) is (2-chloro-6-fluorophenyl)-dimethylborane.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-dimethylborane?
The canonical SMILES for (2-chloro-6-fluorophenyl)-dimethylborane is CB(C)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-dimethylborane?
The InChIKey is VUPLBDBHTRRPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BClF/c1-9(2)8-6(10)4-3-5-7(8)11/h3-5H,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-dimethylborane?
(2-chloro-6-fluorophenyl)-dimethylborane has a molecular weight of 170.42 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-dimethylborane is sourced from PubChem (CID 67978449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).