carbon monoxide;cobalt;1,1,1-trifluoropropane

C12H4Co3F3O9- — CID 632081

IUPACcarbon monoxide;cobalt;1,1,1-trifluoropropane
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2-]CC(F)(F)F.[Co].[Co].[Co]
InChIInChI=1S/C3H4F3.9CO.3Co/c1-2-3(4,5)6;9*1-2;;;/h1-2H2;;;;;;;;;;;;/q-1;;;;;;;;;;;;
InChIKeyRSKMHBBPDPFCDE-UHFFFAOYSA-N
MW525.95 g/mol
LogP1.43
Rot. Bonds

About carbon monoxide;cobalt;1,1,1-trifluoropropane

carbon monoxide;cobalt;1,1,1-trifluoropropane (PubChem CID 632081) has the molecular formula C12H4Co3F3O9- and a molecular weight of 525.95 g/mol. Its IUPAC name is carbon monoxide;cobalt;1,1,1-trifluoropropane.

Molecular Properties

Compound Namecarbon monoxide;cobalt;1,1,1-trifluoropropane
PubChem CID632081
Molecular FormulaC12H4Co3F3O9-
Molecular Weight525.95 g/mol
Exact Mass525.78
IUPAC Namecarbon monoxide;cobalt;1,1,1-trifluoropropane
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2-]CC(F)(F)F.[Co].[Co].[Co]
InChIInChI=1S/C3H4F3.9CO.3Co/c1-2-3(4,5)6;9*1-2;;;/h1-2H2;;;;;;;;;;;;/q-1;;;;;;;;;;;;
InChIKeyRSKMHBBPDPFCDE-UHFFFAOYSA-N
XLogP1.43
TPSA179.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.95
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbon monoxide;cobalt;1,1,1-trifluoropropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;1,1,1-trifluoropropane?
The IUPAC name of carbon monoxide;cobalt;1,1,1-trifluoropropane (CID 632081) is carbon monoxide;cobalt;1,1,1-trifluoropropane.
What is the SMILES notation for carbon monoxide;cobalt;1,1,1-trifluoropropane?
The canonical SMILES for carbon monoxide;cobalt;1,1,1-trifluoropropane is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH2-]CC(F)(F)F.[Co].[Co].[Co].
What is the InChIKey of carbon monoxide;cobalt;1,1,1-trifluoropropane?
The InChIKey is RSKMHBBPDPFCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3.9CO.3Co/c1-2-3(4,5)6;9*1-2;;;/h1-2H2;;;;;;;;;;;;/q-1;;;;;;;;;;;;.
What are the key properties of carbon monoxide;cobalt;1,1,1-trifluoropropane?
carbon monoxide;cobalt;1,1,1-trifluoropropane has a molecular weight of 525.95 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;1,1,1-trifluoropropane is sourced from PubChem (CID 632081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).