CID 163702369

C6H5FNSi — CID 163702369

IUPAC—
SMILESNc1ccc([Si])c(F)c1
InChIInChI=1S/C6H5FNSi/c7-5-3-4(8)1-2-6(5)9/h1-3H,8H2
InChIKeyAKBDCOFGULATIH-UHFFFAOYSA-N
MW138.20 g/mol
LogP0.20
Rot. Bonds

About CID 163702369

CID 163702369 (PubChem CID 163702369) has the molecular formula C6H5FNSi and a molecular weight of 138.20 g/mol.

Molecular Properties

Compound NameCID 163702369
PubChem CID163702369
Molecular FormulaC6H5FNSi
Molecular Weight138.20 g/mol
Exact Mass138.02
IUPAC Name—
SMILESNc1ccc([Si])c(F)c1
InChIInChI=1S/C6H5FNSi/c7-5-3-4(8)1-2-6(5)9/h1-3H,8H2
InChIKeyAKBDCOFGULATIH-UHFFFAOYSA-N
XLogP0.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 163702369?
The IUPAC name of CID 163702369 (CID 163702369) is not available.
What is the SMILES notation for CID 163702369?
The canonical SMILES for CID 163702369 is Nc1ccc([Si])c(F)c1.
What is the InChIKey of CID 163702369?
The InChIKey is AKBDCOFGULATIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FNSi/c7-5-3-4(8)1-2-6(5)9/h1-3H,8H2.
What are the key properties of CID 163702369?
CID 163702369 has a molecular weight of 138.20 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163702369 is sourced from PubChem (CID 163702369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).