[2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane

C9H9BF4O — CID 58436952

IUPAC[2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane
SMILESCB(C)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C9H9BF4O/c1-10(2)7-5-6(3-4-8(7)11)15-9(12,13)14/h3-5H,1-2H3
InChIKeyFOSLVEOJEKDFGM-UHFFFAOYSA-N
MW219.97 g/mol
LogP2.69
Rot. Bonds2

About [2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane

[2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane (PubChem CID 58436952) has the molecular formula C9H9BF4O and a molecular weight of 219.97 g/mol. Its IUPAC name is [2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane.

Molecular Properties

Compound Name[2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane
PubChem CID58436952
Molecular FormulaC9H9BF4O
Molecular Weight219.97 g/mol
Exact Mass220.07
IUPAC Name[2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane
SMILESCB(C)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C9H9BF4O/c1-10(2)7-5-6(3-4-8(7)11)15-9(12,13)14/h3-5H,1-2H3
InChIKeyFOSLVEOJEKDFGM-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.97
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118824858
1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene
CID 130935910
[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]boronic acid
CID 131676982
2-fluoro-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 118847370
(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 171235861
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 83410120
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine
CID 171216263
N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 153302415
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 171216239
1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 58180993
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251779

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane?
The IUPAC name of [2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane (CID 58436952) is [2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane.
What is the SMILES notation for [2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane?
The canonical SMILES for [2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane is CB(C)c1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of [2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane?
The InChIKey is FOSLVEOJEKDFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BF4O/c1-10(2)7-5-6(3-4-8(7)11)15-9(12,13)14/h3-5H,1-2H3.
What are the key properties of [2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane?
[2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane has a molecular weight of 219.97 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane is sourced from PubChem (CID 58436952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).