CID 90170317

C14H19F3O3Si — CID 90170317

IUPAC—
SMILESCC(C)OC(O[Si]Cc1cc(F)c(F)cc1F)OC(C)C
InChIInChI=1S/C14H19F3O3Si/c1-8(2)18-14(19-9(3)4)20-21-7-10-5-12(16)13(17)6-11(10)15/h5-6,8-9,14H,7H2,1-4H3
InChIKeyJJZJMJSEAMLGNW-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.37
Rot. Bonds8

About CID 90170317

CID 90170317 (PubChem CID 90170317) has the molecular formula C14H19F3O3Si and a molecular weight of 320.38 g/mol.

Molecular Properties

Compound NameCID 90170317
PubChem CID90170317
Molecular FormulaC14H19F3O3Si
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC Name—
SMILESCC(C)OC(O[Si]Cc1cc(F)c(F)cc1F)OC(C)C
InChIInChI=1S/C14H19F3O3Si/c1-8(2)18-14(19-9(3)4)20-21-7-10-5-12(16)13(17)6-11(10)15/h5-6,8-9,14H,7H2,1-4H3
InChIKeyJJZJMJSEAMLGNW-UHFFFAOYSA-N
XLogP3.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.37
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 90170317?
The IUPAC name of CID 90170317 (CID 90170317) is not available.
What is the SMILES notation for CID 90170317?
The canonical SMILES for CID 90170317 is CC(C)OC(O[Si]Cc1cc(F)c(F)cc1F)OC(C)C.
What is the InChIKey of CID 90170317?
The InChIKey is JJZJMJSEAMLGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O3Si/c1-8(2)18-14(19-9(3)4)20-21-7-10-5-12(16)13(17)6-11(10)15/h5-6,8-9,14H,7H2,1-4H3.
What are the key properties of CID 90170317?
CID 90170317 has a molecular weight of 320.38 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90170317 is sourced from PubChem (CID 90170317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).