1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium

C7H4F4O2RuS — CID 159777789

IUPAC1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium
SMILESO=S(=O)(c1ccccc1F)C(F)(F)F.[Ru]
InChIInChI=1S/C7H4F4O2S.Ru/c8-5-3-1-2-4-6(5)14(12,13)7(9,10)11;/h1-4H;
InChIKeyNGYVQBDFQYHNND-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.12
Rot. Bonds1

About 1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium

1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium (PubChem CID 159777789) has the molecular formula C7H4F4O2RuS and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium.

Molecular Properties

Compound Name1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium
PubChem CID159777789
Molecular FormulaC7H4F4O2RuS
Molecular Weight329.24 g/mol
Exact Mass329.89
IUPAC Name1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium
SMILESO=S(=O)(c1ccccc1F)C(F)(F)F.[Ru]
InChIInChI=1S/C7H4F4O2S.Ru/c8-5-3-1-2-4-6(5)14(12,13)7(9,10)11;/h1-4H;
InChIKeyNGYVQBDFQYHNND-UHFFFAOYSA-N
XLogP2.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium?
The IUPAC name of 1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium (CID 159777789) is 1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium.
What is the SMILES notation for 1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium?
The canonical SMILES for 1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium is O=S(=O)(c1ccccc1F)C(F)(F)F.[Ru].
What is the InChIKey of 1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium?
The InChIKey is NGYVQBDFQYHNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4O2S.Ru/c8-5-3-1-2-4-6(5)14(12,13)7(9,10)11;/h1-4H;.
What are the key properties of 1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium?
1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium has a molecular weight of 329.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium is sourced from PubChem (CID 159777789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).