CID 69441993

C17H23F3NO2Si — CID 69441993

IUPAC—
SMILESCC(C)(C)C1(C)N(O[Si])OC(c2ccc(C(F)(F)F)cc2)C1(C)C
InChIInChI=1S/C17H23F3NO2Si/c1-14(2,3)16(6)15(4,5)13(22-21(16)23-24)11-7-9-12(10-8-11)17(18,19)20/h7-10,13H,1-6H3
InChIKeyPXRNXBAHGOJMDS-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.84
Rot. Bonds2

About CID 69441993

CID 69441993 (PubChem CID 69441993) has the molecular formula C17H23F3NO2Si and a molecular weight of 358.46 g/mol.

Molecular Properties

Compound NameCID 69441993
PubChem CID69441993
Molecular FormulaC17H23F3NO2Si
Molecular Weight358.46 g/mol
Exact Mass358.15
IUPAC Name—
SMILESCC(C)(C)C1(C)N(O[Si])OC(c2ccc(C(F)(F)F)cc2)C1(C)C
InChIInChI=1S/C17H23F3NO2Si/c1-14(2,3)16(6)15(4,5)13(22-21(16)23-24)11-7-9-12(10-8-11)17(18,19)20/h7-10,13H,1-6H3
InChIKeyPXRNXBAHGOJMDS-UHFFFAOYSA-N
XLogP4.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 69441993?
The IUPAC name of CID 69441993 (CID 69441993) is not available.
What is the SMILES notation for CID 69441993?
The canonical SMILES for CID 69441993 is CC(C)(C)C1(C)N(O[Si])OC(c2ccc(C(F)(F)F)cc2)C1(C)C.
What is the InChIKey of CID 69441993?
The InChIKey is PXRNXBAHGOJMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3NO2Si/c1-14(2,3)16(6)15(4,5)13(22-21(16)23-24)11-7-9-12(10-8-11)17(18,19)20/h7-10,13H,1-6H3.
What are the key properties of CID 69441993?
CID 69441993 has a molecular weight of 358.46 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69441993 is sourced from PubChem (CID 69441993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).