CID 59946519

C8H7F3O2Si — CID 59946519

IUPAC—
SMILESC[Si]OC1(C(F)(F)F)C=CC(=O)C=C1
InChIInChI=1S/C8H7F3O2Si/c1-14-13-7(8(9,10)11)4-2-6(12)3-5-7/h2-5H,1H3
InChIKeyZQUCSJWXEAMSSW-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.67
Rot. Bonds2

About CID 59946519

CID 59946519 (PubChem CID 59946519) has the molecular formula C8H7F3O2Si and a molecular weight of 220.22 g/mol.

Molecular Properties

Compound NameCID 59946519
PubChem CID59946519
Molecular FormulaC8H7F3O2Si
Molecular Weight220.22 g/mol
Exact Mass220.02
IUPAC Name—
SMILESC[Si]OC1(C(F)(F)F)C=CC(=O)C=C1
InChIInChI=1S/C8H7F3O2Si/c1-14-13-7(8(9,10)11)4-2-6(12)3-5-7/h2-5H,1H3
InChIKeyZQUCSJWXEAMSSW-UHFFFAOYSA-N
XLogP1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 59946519?
The IUPAC name of CID 59946519 (CID 59946519) is not available.
What is the SMILES notation for CID 59946519?
The canonical SMILES for CID 59946519 is C[Si]OC1(C(F)(F)F)C=CC(=O)C=C1.
What is the InChIKey of CID 59946519?
The InChIKey is ZQUCSJWXEAMSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2Si/c1-14-13-7(8(9,10)11)4-2-6(12)3-5-7/h2-5H,1H3.
What are the key properties of CID 59946519?
CID 59946519 has a molecular weight of 220.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59946519 is sourced from PubChem (CID 59946519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).