carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate

C19H33BF4Fe2O3P+ — CID 23280756

IUPACcarbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate
SMILESC1CCCC1.C1CCCC1.F[B-](F)(F)F.PC1CCCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2].[Fe]
InChIInChI=1S/C6H13P.2C5H10.3CO.BF4.2Fe/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;3*1-2;2-1(3,4)5;;/h6H,1-5,7H2;2*1-5H2;;;;;;/q;;;;;;-1;;+2
InChIKeyFDVIRFRLJRWYHY-UHFFFAOYSA-N
MW538.94 g/mol
LogP7.28
Rot. Bonds

About carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate

carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate (PubChem CID 23280756) has the molecular formula C19H33BF4Fe2O3P+ and a molecular weight of 538.94 g/mol. Its IUPAC name is carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate.

Molecular Properties

Compound Namecarbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate
PubChem CID23280756
Molecular FormulaC19H33BF4Fe2O3P+
Molecular Weight538.94 g/mol
Exact Mass539.09
IUPAC Namecarbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate
SMILESC1CCCC1.C1CCCC1.F[B-](F)(F)F.PC1CCCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2].[Fe]
InChIInChI=1S/C6H13P.2C5H10.3CO.BF4.2Fe/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;3*1-2;2-1(3,4)5;;/h6H,1-5,7H2;2*1-5H2;;;;;;/q;;;;;;-1;;+2
InChIKeyFDVIRFRLJRWYHY-UHFFFAOYSA-N
XLogP7.28
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.94
LogP ≤ 57.28
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate?
The IUPAC name of carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate (CID 23280756) is carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate.
What is the SMILES notation for carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate?
The canonical SMILES for carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate is C1CCCC1.C1CCCC1.F[B-](F)(F)F.PC1CCCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2].[Fe].
What is the InChIKey of carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate?
The InChIKey is FDVIRFRLJRWYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13P.2C5H10.3CO.BF4.2Fe/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;3*1-2;2-1(3,4)5;;/h6H,1-5,7H2;2*1-5H2;;;;;;/q;;;;;;-1;;+2.
What are the key properties of carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate?
carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate has a molecular weight of 538.94 g/mol, XLogP of 7.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate is sourced from PubChem (CID 23280756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).