CID 166125041

C16H21F2NOSi- — CID 166125041

IUPAC—
SMILESC[C@H]1COCC[C@]1(F)c1cc(C#C[Si-](C)(C)C)cnc1F
InChIInChI=1S/C16H21F2NOSi/c1-12-11-20-7-6-16(12,18)14-9-13(10-19-15(14)17)5-8-21(2,3)4/h9-10,12H,6-7,11H2,1-4H3/q-1/t12-,16+/m0/s1
InChIKeyOCRNQLXIYPMUDT-BLLLJJGKSA-N
MW309.43 g/mol
LogP3.67
Rot. Bonds1

About CID 166125041

CID 166125041 (PubChem CID 166125041) has the molecular formula C16H21F2NOSi- and a molecular weight of 309.43 g/mol.

Molecular Properties

Compound NameCID 166125041
PubChem CID166125041
Molecular FormulaC16H21F2NOSi-
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name—
SMILESC[C@H]1COCC[C@]1(F)c1cc(C#C[Si-](C)(C)C)cnc1F
InChIInChI=1S/C16H21F2NOSi/c1-12-11-20-7-6-16(12,18)14-9-13(10-19-15(14)17)5-8-21(2,3)4/h9-10,12H,6-7,11H2,1-4H3/q-1/t12-,16+/m0/s1
InChIKeyOCRNQLXIYPMUDT-BLLLJJGKSA-N
XLogP3.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 166125041?
The IUPAC name of CID 166125041 (CID 166125041) is not available.
What is the SMILES notation for CID 166125041?
The canonical SMILES for CID 166125041 is C[C@H]1COCC[C@]1(F)c1cc(C#C[Si-](C)(C)C)cnc1F.
What is the InChIKey of CID 166125041?
The InChIKey is OCRNQLXIYPMUDT-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H21F2NOSi/c1-12-11-20-7-6-16(12,18)14-9-13(10-19-15(14)17)5-8-21(2,3)4/h9-10,12H,6-7,11H2,1-4H3/q-1/t12-,16+/m0/s1.
What are the key properties of CID 166125041?
CID 166125041 has a molecular weight of 309.43 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166125041 is sourced from PubChem (CID 166125041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).