CID 175224311

C8H3F3NSi — CID 175224311

IUPAC—
SMILESFC(F)(F)c1ccnc(C#C[Si])c1
InChIInChI=1S/C8H3F3NSi/c9-8(10,11)6-1-3-12-7(5-6)2-4-13/h1,3,5H
InChIKeyPAGCAQCNBJTWKR-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.58
Rot. Bonds

About CID 175224311

CID 175224311 (PubChem CID 175224311) has the molecular formula C8H3F3NSi and a molecular weight of 198.20 g/mol.

Molecular Properties

Compound NameCID 175224311
PubChem CID175224311
Molecular FormulaC8H3F3NSi
Molecular Weight198.20 g/mol
Exact Mass198.00
IUPAC Name—
SMILESFC(F)(F)c1ccnc(C#C[Si])c1
InChIInChI=1S/C8H3F3NSi/c9-8(10,11)6-1-3-12-7(5-6)2-4-13/h1,3,5H
InChIKeyPAGCAQCNBJTWKR-UHFFFAOYSA-N
XLogP1.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175224311?
The IUPAC name of CID 175224311 (CID 175224311) is not available.
What is the SMILES notation for CID 175224311?
The canonical SMILES for CID 175224311 is FC(F)(F)c1ccnc(C#C[Si])c1.
What is the InChIKey of CID 175224311?
The InChIKey is PAGCAQCNBJTWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3NSi/c9-8(10,11)6-1-3-12-7(5-6)2-4-13/h1,3,5H.
What are the key properties of CID 175224311?
CID 175224311 has a molecular weight of 198.20 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175224311 is sourced from PubChem (CID 175224311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).