CID 136866068

C16H13F2Si — CID 136866068

IUPAC—
SMILESC[Si](C)c1ccc(C#Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H13F2Si/c1-19(2)16-7-5-12(6-8-16)3-4-13-9-14(17)11-15(18)10-13/h5-11H,1-2H3
InChIKeyBWMDFCTZINZQEO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.33
Rot. Bonds1

About CID 136866068

CID 136866068 (PubChem CID 136866068) has the molecular formula C16H13F2Si and a molecular weight of 271.36 g/mol.

Molecular Properties

Compound NameCID 136866068
PubChem CID136866068
Molecular FormulaC16H13F2Si
Molecular Weight271.36 g/mol
Exact Mass271.08
IUPAC Name—
SMILESC[Si](C)c1ccc(C#Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H13F2Si/c1-19(2)16-7-5-12(6-8-16)3-4-13-9-14(17)11-15(18)10-13/h5-11H,1-2H3
InChIKeyBWMDFCTZINZQEO-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 136866068?
The IUPAC name of CID 136866068 (CID 136866068) is not available.
What is the SMILES notation for CID 136866068?
The canonical SMILES for CID 136866068 is C[Si](C)c1ccc(C#Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of CID 136866068?
The InChIKey is BWMDFCTZINZQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2Si/c1-19(2)16-7-5-12(6-8-16)3-4-13-9-14(17)11-15(18)10-13/h5-11H,1-2H3.
What are the key properties of CID 136866068?
CID 136866068 has a molecular weight of 271.36 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136866068 is sourced from PubChem (CID 136866068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).