CID 138967245

C13H10FNSi — CID 138967245

IUPAC—
SMILESFc1ccc(/C=C/[Si]c2ccccn2)cc1
InChIInChI=1S/C13H10FNSi/c14-12-6-4-11(5-7-12)8-10-16-13-3-1-2-9-15-13/h1-10H/b10-8+
InChIKeyHTRCZJITCNWTSW-CSKARUKUSA-N
MW227.31 g/mol
LogP2.22
Rot. Bonds3

About CID 138967245

CID 138967245 (PubChem CID 138967245) has the molecular formula C13H10FNSi and a molecular weight of 227.31 g/mol.

Molecular Properties

Compound NameCID 138967245
PubChem CID138967245
Molecular FormulaC13H10FNSi
Molecular Weight227.31 g/mol
Exact Mass227.06
IUPAC Name—
SMILESFc1ccc(/C=C/[Si]c2ccccn2)cc1
InChIInChI=1S/C13H10FNSi/c14-12-6-4-11(5-7-12)8-10-16-13-3-1-2-9-15-13/h1-10H/b10-8+
InChIKeyHTRCZJITCNWTSW-CSKARUKUSA-N
XLogP2.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 138967245?
The IUPAC name of CID 138967245 (CID 138967245) is not available.
What is the SMILES notation for CID 138967245?
The canonical SMILES for CID 138967245 is Fc1ccc(/C=C/[Si]c2ccccn2)cc1.
What is the InChIKey of CID 138967245?
The InChIKey is HTRCZJITCNWTSW-CSKARUKUSA-N. The full InChI is InChI=1S/C13H10FNSi/c14-12-6-4-11(5-7-12)8-10-16-13-3-1-2-9-15-13/h1-10H/b10-8+.
What are the key properties of CID 138967245?
CID 138967245 has a molecular weight of 227.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138967245 is sourced from PubChem (CID 138967245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).