CID 174604343

C11H10FO5Si — CID 174604343

IUPAC—
SMILESCCC(F)(O[Si])OC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H10FO5Si/c1-2-11(12,17-18)16-10(15)8-5-3-4-7(6-8)9(13)14/h3-6H,2H2,1H3,(H,13,14)
InChIKeyQVXKNUGYGLJRNS-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.67
Rot. Bonds5

About CID 174604343

CID 174604343 (PubChem CID 174604343) has the molecular formula C11H10FO5Si and a molecular weight of 269.28 g/mol.

Molecular Properties

Compound NameCID 174604343
PubChem CID174604343
Molecular FormulaC11H10FO5Si
Molecular Weight269.28 g/mol
Exact Mass269.03
IUPAC Name—
SMILESCCC(F)(O[Si])OC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H10FO5Si/c1-2-11(12,17-18)16-10(15)8-5-3-4-7(6-8)9(13)14/h3-6H,2H2,1H3,(H,13,14)
InChIKeyQVXKNUGYGLJRNS-UHFFFAOYSA-N
XLogP1.67
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 68510024
CID 139146863
CID 139146863
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
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Frequently Asked Questions

What is the IUPAC name of CID 174604343?
The IUPAC name of CID 174604343 (CID 174604343) is not available.
What is the SMILES notation for CID 174604343?
The canonical SMILES for CID 174604343 is CCC(F)(O[Si])OC(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of CID 174604343?
The InChIKey is QVXKNUGYGLJRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FO5Si/c1-2-11(12,17-18)16-10(15)8-5-3-4-7(6-8)9(13)14/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of CID 174604343?
CID 174604343 has a molecular weight of 269.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174604343 is sourced from PubChem (CID 174604343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).