CID 90171880

C14H21F2O2Si — CID 90171880

IUPAC—
SMILESCCO[Si](CCCCc1ccc(F)c(F)c1)OCC
InChIInChI=1S/C14H21F2O2Si/c1-3-17-19(18-4-2)10-6-5-7-12-8-9-13(15)14(16)11-12/h8-9,11H,3-7,10H2,1-2H3
InChIKeyHYQYXLLFOWRAGX-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.85
Rot. Bonds9

About CID 90171880

CID 90171880 (PubChem CID 90171880) has the molecular formula C14H21F2O2Si and a molecular weight of 287.40 g/mol.

Molecular Properties

Compound NameCID 90171880
PubChem CID90171880
Molecular FormulaC14H21F2O2Si
Molecular Weight287.40 g/mol
Exact Mass287.13
IUPAC Name—
SMILESCCO[Si](CCCCc1ccc(F)c(F)c1)OCC
InChIInChI=1S/C14H21F2O2Si/c1-3-17-19(18-4-2)10-6-5-7-12-8-9-13(15)14(16)11-12/h8-9,11H,3-7,10H2,1-2H3
InChIKeyHYQYXLLFOWRAGX-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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2-[3-(3,4-difluorophenyl)propyl]-1,1-diethoxydecan-1-ol
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Frequently Asked Questions

What is the IUPAC name of CID 90171880?
The IUPAC name of CID 90171880 (CID 90171880) is not available.
What is the SMILES notation for CID 90171880?
The canonical SMILES for CID 90171880 is CCO[Si](CCCCc1ccc(F)c(F)c1)OCC.
What is the InChIKey of CID 90171880?
The InChIKey is HYQYXLLFOWRAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2O2Si/c1-3-17-19(18-4-2)10-6-5-7-12-8-9-13(15)14(16)11-12/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of CID 90171880?
CID 90171880 has a molecular weight of 287.40 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90171880 is sourced from PubChem (CID 90171880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).