CID 10951512

C15H10F6ORh2 — CID 10951512

IUPAC—
SMILESFC(F)(F)C#CC(F)(F)F.[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Rh].[Rh]
InChIInChI=1S/2C5H5.C4F6.CO.2Rh/c2*1-2-4-5-3-1;5-3(6,7)1-2-4(8,9)10;1-2;;/h2*1-5H;;;;
InChIKeyHQSLRBFCCUHGSH-UHFFFAOYSA-N
MW526.04 g/mol
LogP4.11
Rot. Bonds

About CID 10951512

CID 10951512 (PubChem CID 10951512) has the molecular formula C15H10F6ORh2 and a molecular weight of 526.04 g/mol.

Molecular Properties

Compound NameCID 10951512
PubChem CID10951512
Molecular FormulaC15H10F6ORh2
Molecular Weight526.04 g/mol
Exact Mass525.87
IUPAC Name—
SMILESFC(F)(F)C#CC(F)(F)F.[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Rh].[Rh]
InChIInChI=1S/2C5H5.C4F6.CO.2Rh/c2*1-2-4-5-3-1;5-3(6,7)1-2-4(8,9)10;1-2;;/h2*1-5H;;;;
InChIKeyHQSLRBFCCUHGSH-UHFFFAOYSA-N
XLogP4.11
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.04
LogP ≤ 54.11
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10951512?
The IUPAC name of CID 10951512 (CID 10951512) is not available.
What is the SMILES notation for CID 10951512?
The canonical SMILES for CID 10951512 is FC(F)(F)C#CC(F)(F)F.[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Rh].[Rh].
What is the InChIKey of CID 10951512?
The InChIKey is HQSLRBFCCUHGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C4F6.CO.2Rh/c2*1-2-4-5-3-1;5-3(6,7)1-2-4(8,9)10;1-2;;/h2*1-5H;;;;.
What are the key properties of CID 10951512?
CID 10951512 has a molecular weight of 526.04 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10951512 is sourced from PubChem (CID 10951512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).