CID 90172645

C14H18F4O3Si — CID 90172645

IUPAC—
SMILESCCOC(OCC)O[Si]CCCc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C14H18F4O3Si/c1-3-19-14(20-4-2)21-22-7-5-6-9-8-10(15)12(17)13(18)11(9)16/h8,14H,3-7H2,1-2H3
InChIKeyNPVYPZSJWFNJIG-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.59
Rot. Bonds10

About CID 90172645

CID 90172645 (PubChem CID 90172645) has the molecular formula C14H18F4O3Si and a molecular weight of 338.37 g/mol.

Molecular Properties

Compound NameCID 90172645
PubChem CID90172645
Molecular FormulaC14H18F4O3Si
Molecular Weight338.37 g/mol
Exact Mass338.10
IUPAC Name—
SMILESCCOC(OCC)O[Si]CCCc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C14H18F4O3Si/c1-3-19-14(20-4-2)21-22-7-5-6-9-8-10(15)12(17)13(18)11(9)16/h8,14H,3-7H2,1-2H3
InChIKeyNPVYPZSJWFNJIG-UHFFFAOYSA-N
XLogP3.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 90172645?
The IUPAC name of CID 90172645 (CID 90172645) is not available.
What is the SMILES notation for CID 90172645?
The canonical SMILES for CID 90172645 is CCOC(OCC)O[Si]CCCc1cc(F)c(F)c(F)c1F.
What is the InChIKey of CID 90172645?
The InChIKey is NPVYPZSJWFNJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O3Si/c1-3-19-14(20-4-2)21-22-7-5-6-9-8-10(15)12(17)13(18)11(9)16/h8,14H,3-7H2,1-2H3.
What are the key properties of CID 90172645?
CID 90172645 has a molecular weight of 338.37 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90172645 is sourced from PubChem (CID 90172645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).