CID 59340244

C17H11FIrN- — CID 59340244

IUPAC—
SMILES[CH]Cc1[c-]c(-c2nccc3ccccc23)ccc1F.[Ir]
InChIInChI=1S/C17H11FN.Ir/c1-2-12-11-14(7-8-16(12)18)17-15-6-4-3-5-13(15)9-10-19-17;/h1,3-10H,2H2;/q-1;
InChIKeyMZRLDVJILDIOFN-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.09
Rot. Bonds2

About CID 59340244

CID 59340244 (PubChem CID 59340244) has the molecular formula C17H11FIrN- and a molecular weight of 440.50 g/mol.

Molecular Properties

Compound NameCID 59340244
PubChem CID59340244
Molecular FormulaC17H11FIrN-
Molecular Weight440.50 g/mol
Exact Mass441.05
IUPAC Name—
SMILES[CH]Cc1[c-]c(-c2nccc3ccccc23)ccc1F.[Ir]
InChIInChI=1S/C17H11FN.Ir/c1-2-12-11-14(7-8-16(12)18)17-15-6-4-3-5-13(15)9-10-19-17;/h1,3-10H,2H2;/q-1;
InChIKeyMZRLDVJILDIOFN-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59340244?
The IUPAC name of CID 59340244 (CID 59340244) is not available.
What is the SMILES notation for CID 59340244?
The canonical SMILES for CID 59340244 is [CH]Cc1[c-]c(-c2nccc3ccccc23)ccc1F.[Ir].
What is the InChIKey of CID 59340244?
The InChIKey is MZRLDVJILDIOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN.Ir/c1-2-12-11-14(7-8-16(12)18)17-15-6-4-3-5-13(15)9-10-19-17;/h1,3-10H,2H2;/q-1;.
What are the key properties of CID 59340244?
CID 59340244 has a molecular weight of 440.50 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59340244 is sourced from PubChem (CID 59340244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).