carbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane

C9HF3MoO3-6 — CID 3255970

IUPACcarbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane
SMILESF[C-](F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].[c-]1[c-][c-][cH-][c-]1
InChIInChI=1S/C5H.CF3.3CO.Mo/c1-2-4-5-3-1;2-1(3)4;3*1-2;/h1H;;;;;/q-5;-1;;;;
InChIKeyHYGDYZDMZYMYSQ-UHFFFAOYSA-N
MW310.04 g/mol
LogP1.83
Rot. Bonds

About carbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane

carbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane (PubChem CID 3255970) has the molecular formula C9HF3MoO3-6 and a molecular weight of 310.04 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane
PubChem CID3255970
Molecular FormulaC9HF3MoO3-6
Molecular Weight310.04 g/mol
Exact Mass311.90
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane
SMILESF[C-](F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].[c-]1[c-][c-][cH-][c-]1
InChIInChI=1S/C5H.CF3.3CO.Mo/c1-2-4-5-3-1;2-1(3)4;3*1-2;/h1H;;;;;/q-5;-1;;;;
InChIKeyHYGDYZDMZYMYSQ-UHFFFAOYSA-N
XLogP1.83
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.04
LogP ≤ 51.83
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;cyclopenta-1,3-diene;molybdenum;trifluoromethane 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;cyclopenta-1,3-diene;molybdenum;trifluoromethane?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane (CID 3255970) is carbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane is F[C-](F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].[c-]1[c-][c-][cH-][c-]1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane?
The InChIKey is HYGDYZDMZYMYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H.CF3.3CO.Mo/c1-2-4-5-3-1;2-1(3)4;3*1-2;/h1H;;;;;/q-5;-1;;;;.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane?
carbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane has a molecular weight of 310.04 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;molybdenum;trifluoromethane is sourced from PubChem (CID 3255970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).