CID 90171138

C19H20F3O3Si — CID 90171138

IUPAC—
SMILESCC(C)OC(O[Si])(OC(C)C)c1ccc(-c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C19H20F3O3Si/c1-11(2)23-19(25-26,24-12(3)4)14-7-5-13(6-8-14)15-9-17(21)18(22)10-16(15)20/h5-12H,1-4H3
InChIKeyBHCFWQLGRZZTMM-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.83
Rot. Bonds7

About CID 90171138

CID 90171138 (PubChem CID 90171138) has the molecular formula C19H20F3O3Si and a molecular weight of 381.45 g/mol.

Molecular Properties

Compound NameCID 90171138
PubChem CID90171138
Molecular FormulaC19H20F3O3Si
Molecular Weight381.45 g/mol
Exact Mass381.11
IUPAC Name—
SMILESCC(C)OC(O[Si])(OC(C)C)c1ccc(-c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C19H20F3O3Si/c1-11(2)23-19(25-26,24-12(3)4)14-7-5-13(6-8-14)15-9-17(21)18(22)10-16(15)20/h5-12H,1-4H3
InChIKeyBHCFWQLGRZZTMM-UHFFFAOYSA-N
XLogP4.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 90171138?
The IUPAC name of CID 90171138 (CID 90171138) is not available.
What is the SMILES notation for CID 90171138?
The canonical SMILES for CID 90171138 is CC(C)OC(O[Si])(OC(C)C)c1ccc(-c2cc(F)c(F)cc2F)cc1.
What is the InChIKey of CID 90171138?
The InChIKey is BHCFWQLGRZZTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3O3Si/c1-11(2)23-19(25-26,24-12(3)4)14-7-5-13(6-8-14)15-9-17(21)18(22)10-16(15)20/h5-12H,1-4H3.
What are the key properties of CID 90171138?
CID 90171138 has a molecular weight of 381.45 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90171138 is sourced from PubChem (CID 90171138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).