trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide

C7H6BF4O2S- — CID 124706262

IUPACtrifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide
SMILESCS(=O)(=O)c1ccc([B-](F)(F)F)c(F)c1
InChIInChI=1S/C7H6BF4O2S/c1-15(13,14)5-2-3-6(7(9)4-5)8(10,11)12/h2-4H,1H3/q-1
InChIKeyKIELETKEFVAPMV-UHFFFAOYSA-N
MW240.99 g/mol
LogP1.28
Rot. Bonds2

About trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide

trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide (PubChem CID 124706262) has the molecular formula C7H6BF4O2S- and a molecular weight of 240.99 g/mol. Its IUPAC name is trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide.

Molecular Properties

Compound Nametrifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide
PubChem CID124706262
Molecular FormulaC7H6BF4O2S-
Molecular Weight240.99 g/mol
Exact Mass241.01
IUPAC Nametrifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide
SMILESCS(=O)(=O)c1ccc([B-](F)(F)F)c(F)c1
InChIInChI=1S/C7H6BF4O2S/c1-15(13,14)5-2-3-6(7(9)4-5)8(10,11)12/h2-4H,1H3/q-1
InChIKeyKIELETKEFVAPMV-UHFFFAOYSA-N
XLogP1.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.99
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene
CID 58114334
1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene
CID 145207047
2-bromo-1-(2-fluoro-4-methylsulfonylphenyl)ethanone
CID 11173933
1-azido-2-fluoro-4-methylsulfonylbenzene
CID 130568437
1-(2-fluoro-5-methylsulfonylphenyl)ethanone
CID 83409937
2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride
CID 122236189
1-(2-fluoro-4-methylsulfonylphenyl)pyrrole
CID 141213908
1,2-difluoro-4-(3-methylphenyl)-5-(4-methylsulfonylphenyl)benzene
CID 23451201
3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine
CID 84794355
2-bromo-1-(2-fluoro-5-methylsulfonylphenyl)ethanone
CID 99770936
1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine
CID 145473250
N-benzyl-2-fluoro-N-methyl-4-methylsulfonylaniline
CID 3874666

Frequently Asked Questions

What is the IUPAC name of trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide?
The IUPAC name of trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide (CID 124706262) is trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide.
What is the SMILES notation for trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide?
The canonical SMILES for trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide is CS(=O)(=O)c1ccc([B-](F)(F)F)c(F)c1.
What is the InChIKey of trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide?
The InChIKey is KIELETKEFVAPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF4O2S/c1-15(13,14)5-2-3-6(7(9)4-5)8(10,11)12/h2-4H,1H3/q-1.
What are the key properties of trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide?
trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide has a molecular weight of 240.99 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide is sourced from PubChem (CID 124706262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).