CID 54471739

C13H10F3OSi — CID 54471739

IUPAC—
SMILESFC(F)(F)[Si](Oc1ccccc1)c1ccccc1
InChIInChI=1S/C13H10F3OSi/c14-13(15,16)18(12-9-5-2-6-10-12)17-11-7-3-1-4-8-11/h1-10H
InChIKeyXIVCSAUSUSRORJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.07
Rot. Bonds3

About CID 54471739

CID 54471739 (PubChem CID 54471739) has the molecular formula C13H10F3OSi and a molecular weight of 267.30 g/mol.

Molecular Properties

Compound NameCID 54471739
PubChem CID54471739
Molecular FormulaC13H10F3OSi
Molecular Weight267.30 g/mol
Exact Mass267.05
IUPAC Name—
SMILESFC(F)(F)[Si](Oc1ccccc1)c1ccccc1
InChIInChI=1S/C13H10F3OSi/c14-13(15,16)18(12-9-5-2-6-10-12)17-11-7-3-1-4-8-11/h1-10H
InChIKeyXIVCSAUSUSRORJ-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 54471739?
The IUPAC name of CID 54471739 (CID 54471739) is not available.
What is the SMILES notation for CID 54471739?
The canonical SMILES for CID 54471739 is FC(F)(F)[Si](Oc1ccccc1)c1ccccc1.
What is the InChIKey of CID 54471739?
The InChIKey is XIVCSAUSUSRORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3OSi/c14-13(15,16)18(12-9-5-2-6-10-12)17-11-7-3-1-4-8-11/h1-10H.
What are the key properties of CID 54471739?
CID 54471739 has a molecular weight of 267.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54471739 is sourced from PubChem (CID 54471739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).