CID 13455483

C11H11ClF3OSi — CID 13455483

IUPAC—
SMILESC=CCc1ccc(C(F)(F)F)cc1O[Si](C)Cl
InChIInChI=1S/C11H11ClF3OSi/c1-3-4-8-5-6-9(11(13,14)15)7-10(8)16-17(2)12/h3,5-7H,1,4H2,2H3
InChIKeyPVPQHWVYHZHLHR-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.17
Rot. Bonds4

About CID 13455483

CID 13455483 (PubChem CID 13455483) has the molecular formula C11H11ClF3OSi and a molecular weight of 279.74 g/mol.

Molecular Properties

Compound NameCID 13455483
PubChem CID13455483
Molecular FormulaC11H11ClF3OSi
Molecular Weight279.74 g/mol
Exact Mass279.02
IUPAC Name—
SMILESC=CCc1ccc(C(F)(F)F)cc1O[Si](C)Cl
InChIInChI=1S/C11H11ClF3OSi/c1-3-4-8-5-6-9(11(13,14)15)7-10(8)16-17(2)12/h3,5-7H,1,4H2,2H3
InChIKeyPVPQHWVYHZHLHR-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 13455483?
The IUPAC name of CID 13455483 (CID 13455483) is not available.
What is the SMILES notation for CID 13455483?
The canonical SMILES for CID 13455483 is C=CCc1ccc(C(F)(F)F)cc1O[Si](C)Cl.
What is the InChIKey of CID 13455483?
The InChIKey is PVPQHWVYHZHLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3OSi/c1-3-4-8-5-6-9(11(13,14)15)7-10(8)16-17(2)12/h3,5-7H,1,4H2,2H3.
What are the key properties of CID 13455483?
CID 13455483 has a molecular weight of 279.74 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13455483 is sourced from PubChem (CID 13455483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).