ethanone;hexafluororhenium

C6H9F6O3Re-3 — CID 151145262

IUPACethanone;hexafluororhenium
SMILESC[C-]=O.C[C-]=O.C[C-]=O.F[Re](F)(F)(F)(F)F
InChIInChI=1S/3C2H3O.6FH.Re/c3*1-2-3;;;;;;;/h3*1H3;6*1H;/q3*-1;;;;;;;+6/p-6
InChIKeyRVQSZMISASPQHA-UHFFFAOYSA-H
MW429.33 g/mol
LogP2.87
Rot. Bonds

About ethanone;hexafluororhenium

ethanone;hexafluororhenium (PubChem CID 151145262) has the molecular formula C6H9F6O3Re-3 and a molecular weight of 429.33 g/mol. Its IUPAC name is ethanone;hexafluororhenium.

Molecular Properties

Compound Nameethanone;hexafluororhenium
PubChem CID151145262
Molecular FormulaC6H9F6O3Re-3
Molecular Weight429.33 g/mol
Exact Mass430.00
IUPAC Nameethanone;hexafluororhenium
SMILESC[C-]=O.C[C-]=O.C[C-]=O.F[Re](F)(F)(F)(F)F
InChIInChI=1S/3C2H3O.6FH.Re/c3*1-2-3;;;;;;;/h3*1H3;6*1H;/q3*-1;;;;;;;+6/p-6
InChIKeyRVQSZMISASPQHA-UHFFFAOYSA-H
XLogP2.87
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanone;hexafluororhenium?
The IUPAC name of ethanone;hexafluororhenium (CID 151145262) is ethanone;hexafluororhenium.
What is the SMILES notation for ethanone;hexafluororhenium?
The canonical SMILES for ethanone;hexafluororhenium is C[C-]=O.C[C-]=O.C[C-]=O.F[Re](F)(F)(F)(F)F.
What is the InChIKey of ethanone;hexafluororhenium?
The InChIKey is RVQSZMISASPQHA-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H3O.6FH.Re/c3*1-2-3;;;;;;;/h3*1H3;6*1H;/q3*-1;;;;;;;+6/p-6.
What are the key properties of ethanone;hexafluororhenium?
ethanone;hexafluororhenium has a molecular weight of 429.33 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanone;hexafluororhenium is sourced from PubChem (CID 151145262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).