carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal

C8H2F3MnO5- — CID 533496

IUPACcarbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[H]/[C-]=C(/C=O)C(F)(F)F.[Mn]
InChIInChI=1S/C4H2F3O.4CO.Mn/c1-3(2-8)4(5,6)7;4*1-2;/h1-2H;;;;;/q-1;;;;;
InChIKeyIWCLKCGOKLNJBU-UHFFFAOYSA-N
MW290.03 g/mol
LogP0.95
Rot. Bonds1

About carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal

carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal (PubChem CID 533496) has the molecular formula C8H2F3MnO5- and a molecular weight of 290.03 g/mol. Its IUPAC name is carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal.

Molecular Properties

Compound Namecarbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal
PubChem CID533496
Molecular FormulaC8H2F3MnO5-
Molecular Weight290.03 g/mol
Exact Mass289.92
IUPAC Namecarbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[H]/[C-]=C(/C=O)C(F)(F)F.[Mn]
InChIInChI=1S/C4H2F3O.4CO.Mn/c1-3(2-8)4(5,6)7;4*1-2;/h1-2H;;;;;/q-1;;;;;
InChIKeyIWCLKCGOKLNJBU-UHFFFAOYSA-N
XLogP0.95
TPSA96.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.03
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal?
The IUPAC name of carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal (CID 533496) is carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal.
What is the SMILES notation for carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal?
The canonical SMILES for carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[H]/[C-]=C(/C=O)C(F)(F)F.[Mn].
What is the InChIKey of carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal?
The InChIKey is IWCLKCGOKLNJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3O.4CO.Mn/c1-3(2-8)4(5,6)7;4*1-2;/h1-2H;;;;;/q-1;;;;;.
What are the key properties of carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal?
carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal has a molecular weight of 290.03 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal is sourced from PubChem (CID 533496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).