CID 151188564

C17H20FNO2Si — CID 151188564

IUPAC—
SMILESCCN(CC)[Si]OCOc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO2Si/c1-3-19(4-2)22-21-13-20-17-10-8-14(9-11-17)15-6-5-7-16(18)12-15/h5-12H,3-4,13H2,1-2H3
InChIKeyKHBSMGCHRCNJQO-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.72
Rot. Bonds8

About CID 151188564

CID 151188564 (PubChem CID 151188564) has the molecular formula C17H20FNO2Si and a molecular weight of 317.44 g/mol.

Molecular Properties

Compound NameCID 151188564
PubChem CID151188564
Molecular FormulaC17H20FNO2Si
Molecular Weight317.44 g/mol
Exact Mass317.12
IUPAC Name—
SMILESCCN(CC)[Si]OCOc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO2Si/c1-3-19(4-2)22-21-13-20-17-10-8-14(9-11-17)15-6-5-7-16(18)12-15/h5-12H,3-4,13H2,1-2H3
InChIKeyKHBSMGCHRCNJQO-UHFFFAOYSA-N
XLogP3.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 151188564?
The IUPAC name of CID 151188564 (CID 151188564) is not available.
What is the SMILES notation for CID 151188564?
The canonical SMILES for CID 151188564 is CCN(CC)[Si]OCOc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of CID 151188564?
The InChIKey is KHBSMGCHRCNJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2Si/c1-3-19(4-2)22-21-13-20-17-10-8-14(9-11-17)15-6-5-7-16(18)12-15/h5-12H,3-4,13H2,1-2H3.
What are the key properties of CID 151188564?
CID 151188564 has a molecular weight of 317.44 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151188564 is sourced from PubChem (CID 151188564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).