difluoro-(2-fluoro-6-methoxyphenyl)borane

C7H6BF3O — CID 165159856

IUPACdifluoro-(2-fluoro-6-methoxyphenyl)borane
SMILESCOc1cccc(F)c1B(F)F
InChIInChI=1S/C7H6BF3O/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3
InChIKeyGNKGWZVDELLIFX-UHFFFAOYSA-N
MW173.93 g/mol
LogP1.47
Rot. Bonds2

About difluoro-(2-fluoro-6-methoxyphenyl)borane

difluoro-(2-fluoro-6-methoxyphenyl)borane (PubChem CID 165159856) has the molecular formula C7H6BF3O and a molecular weight of 173.93 g/mol. Its IUPAC name is difluoro-(2-fluoro-6-methoxyphenyl)borane.

Molecular Properties

Compound Namedifluoro-(2-fluoro-6-methoxyphenyl)borane
PubChem CID165159856
Molecular FormulaC7H6BF3O
Molecular Weight173.93 g/mol
Exact Mass174.05
IUPAC Namedifluoro-(2-fluoro-6-methoxyphenyl)borane
SMILESCOc1cccc(F)c1B(F)F
InChIInChI=1S/C7H6BF3O/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3
InChIKeyGNKGWZVDELLIFX-UHFFFAOYSA-N
XLogP1.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.93
LogP ≤ 51.47
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-6-methoxyphenyl)boronic acid
CID 3294524
magnesium;1-fluoro-2-methoxybenzene;hydride
CID 174440812
trifluoro-(2-fluoro-6-methoxyphenyl)boranuide
CID 87620757
2-fluoro-6-methoxybenzenediazonium
CID 168860936
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
potassium trifluoro-(2-fluoro-6-methoxyphenyl)boranuide
CID 87620756
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
2-fluoro-6-methoxy-N-methylaniline;hydrochloride
CID 57362323
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083
carbon dioxide;1-fluoro-2-methoxybenzene
CID 159972007
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458

Frequently Asked Questions

What is the IUPAC name of difluoro-(2-fluoro-6-methoxyphenyl)borane?
The IUPAC name of difluoro-(2-fluoro-6-methoxyphenyl)borane (CID 165159856) is difluoro-(2-fluoro-6-methoxyphenyl)borane.
What is the SMILES notation for difluoro-(2-fluoro-6-methoxyphenyl)borane?
The canonical SMILES for difluoro-(2-fluoro-6-methoxyphenyl)borane is COc1cccc(F)c1B(F)F.
What is the InChIKey of difluoro-(2-fluoro-6-methoxyphenyl)borane?
The InChIKey is GNKGWZVDELLIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF3O/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3.
What are the key properties of difluoro-(2-fluoro-6-methoxyphenyl)borane?
difluoro-(2-fluoro-6-methoxyphenyl)borane has a molecular weight of 173.93 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(2-fluoro-6-methoxyphenyl)borane is sourced from PubChem (CID 165159856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).