bis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium

C6H7F3N2O5Re — CID 10916976

IUPACbis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium
SMILESCC#N.CC#N.O=C(O)C(F)(F)F.O=[Re](=O)=O
InChIInChI=1S/C2HF3O2.2C2H3N.3O.Re/c3-2(4,5)1(6)7;2*1-2-3;;;;/h(H,6,7);2*1H3;;;;
InChIKeyVQECINUKEREOHD-UHFFFAOYSA-N
MW430.33 g/mol
LogP1.33
Rot. Bonds

About bis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium

bis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium (PubChem CID 10916976) has the molecular formula C6H7F3N2O5Re and a molecular weight of 430.33 g/mol. Its IUPAC name is bis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium.

Molecular Properties

Compound Namebis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium
PubChem CID10916976
Molecular FormulaC6H7F3N2O5Re
Molecular Weight430.33 g/mol
Exact Mass430.99
IUPAC Namebis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium
SMILESCC#N.CC#N.O=C(O)C(F)(F)F.O=[Re](=O)=O
InChIInChI=1S/C2HF3O2.2C2H3N.3O.Re/c3-2(4,5)1(6)7;2*1-2-3;;;;/h(H,6,7);2*1H3;;;;
InChIKeyVQECINUKEREOHD-UHFFFAOYSA-N
XLogP1.33
TPSA136.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium?
The IUPAC name of bis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium (CID 10916976) is bis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium.
What is the SMILES notation for bis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium?
The canonical SMILES for bis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium is CC#N.CC#N.O=C(O)C(F)(F)F.O=[Re](=O)=O.
What is the InChIKey of bis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium?
The InChIKey is VQECINUKEREOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.2C2H3N.3O.Re/c3-2(4,5)1(6)7;2*1-2-3;;;;/h(H,6,7);2*1H3;;;;.
What are the key properties of bis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium?
bis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium has a molecular weight of 430.33 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);2,2,2-trifluoroacetic acid;trioxorhenium is sourced from PubChem (CID 10916976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).