CID 90173736

C16H16F3O3Si — CID 90173736

IUPAC—
SMILESCO[Si](OC)OCCc1ccc(-c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C16H16F3O3Si/c1-20-23(21-2)22-8-7-11-3-5-12(6-4-11)13-9-15(18)16(19)10-14(13)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGPCUPMWQVATUFC-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.61
Rot. Bonds7

About CID 90173736

CID 90173736 (PubChem CID 90173736) has the molecular formula C16H16F3O3Si and a molecular weight of 341.38 g/mol.

Molecular Properties

Compound NameCID 90173736
PubChem CID90173736
Molecular FormulaC16H16F3O3Si
Molecular Weight341.38 g/mol
Exact Mass341.08
IUPAC Name—
SMILESCO[Si](OC)OCCc1ccc(-c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C16H16F3O3Si/c1-20-23(21-2)22-8-7-11-3-5-12(6-4-11)13-9-15(18)16(19)10-14(13)17/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGPCUPMWQVATUFC-UHFFFAOYSA-N
XLogP3.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.61
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 90173736?
The IUPAC name of CID 90173736 (CID 90173736) is not available.
What is the SMILES notation for CID 90173736?
The canonical SMILES for CID 90173736 is CO[Si](OC)OCCc1ccc(-c2cc(F)c(F)cc2F)cc1.
What is the InChIKey of CID 90173736?
The InChIKey is GPCUPMWQVATUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3O3Si/c1-20-23(21-2)22-8-7-11-3-5-12(6-4-11)13-9-15(18)16(19)10-14(13)17/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of CID 90173736?
CID 90173736 has a molecular weight of 341.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90173736 is sourced from PubChem (CID 90173736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).