CID 59638513

C14H16FO3Si — CID 59638513

IUPAC—
SMILESFC1C[C@@]2(CO[Si])OC[C@H]1[C@H]2OCc1ccccc1
InChIInChI=1S/C14H16FO3Si/c15-12-6-14(9-18-19)13(11(12)8-17-14)16-7-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12?,13-,14+/m1/s1
InChIKeyWQMSYYNTVWJUGB-RLAWYHOSSA-N
MW279.36 g/mol
LogP1.80
Rot. Bonds5

About CID 59638513

CID 59638513 (PubChem CID 59638513) has the molecular formula C14H16FO3Si and a molecular weight of 279.36 g/mol.

Molecular Properties

Compound NameCID 59638513
PubChem CID59638513
Molecular FormulaC14H16FO3Si
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name—
SMILESFC1C[C@@]2(CO[Si])OC[C@H]1[C@H]2OCc1ccccc1
InChIInChI=1S/C14H16FO3Si/c15-12-6-14(9-18-19)13(11(12)8-17-14)16-7-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12?,13-,14+/m1/s1
InChIKeyWQMSYYNTVWJUGB-RLAWYHOSSA-N
XLogP1.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 59638513?
The IUPAC name of CID 59638513 (CID 59638513) is not available.
What is the SMILES notation for CID 59638513?
The canonical SMILES for CID 59638513 is FC1C[C@@]2(CO[Si])OC[C@H]1[C@H]2OCc1ccccc1.
What is the InChIKey of CID 59638513?
The InChIKey is WQMSYYNTVWJUGB-RLAWYHOSSA-N. The full InChI is InChI=1S/C14H16FO3Si/c15-12-6-14(9-18-19)13(11(12)8-17-14)16-7-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12?,13-,14+/m1/s1.
What are the key properties of CID 59638513?
CID 59638513 has a molecular weight of 279.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59638513 is sourced from PubChem (CID 59638513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).