CID 54148129

C25H28F5OSi — CID 54148129

IUPAC—
SMILESCOCCCCC[Si]1CCC(c2cc(F)c(-c3ccc(C(F)=CF)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C25H28F5OSi/c1-31-9-3-2-4-10-32-11-7-17(8-12-32)19-14-22(28)25(23(29)15-19)18-5-6-20(21(27)13-18)24(30)16-26/h5-6,13-17H,2-4,7-12H2,1H3
InChIKeyRUGQIEJMOYDESP-UHFFFAOYSA-N
MW467.57 g/mol
LogP8.20
Rot. Bonds9

About CID 54148129

CID 54148129 (PubChem CID 54148129) has the molecular formula C25H28F5OSi and a molecular weight of 467.57 g/mol.

Molecular Properties

Compound NameCID 54148129
PubChem CID54148129
Molecular FormulaC25H28F5OSi
Molecular Weight467.57 g/mol
Exact Mass467.18
IUPAC Name—
SMILESCOCCCCC[Si]1CCC(c2cc(F)c(-c3ccc(C(F)=CF)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C25H28F5OSi/c1-31-9-3-2-4-10-32-11-7-17(8-12-32)19-14-22(28)25(23(29)15-19)18-5-6-20(21(27)13-18)24(30)16-26/h5-6,13-17H,2-4,7-12H2,1H3
InChIKeyRUGQIEJMOYDESP-UHFFFAOYSA-N
XLogP8.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene
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2-(2,2-difluoroethenoxy)-5-[2,6-difluoro-4-(4-methylcyclohexyl)phenyl]-1,3-difluorobenzene;methane;molecular hydrogen
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Frequently Asked Questions

What is the IUPAC name of CID 54148129?
The IUPAC name of CID 54148129 (CID 54148129) is not available.
What is the SMILES notation for CID 54148129?
The canonical SMILES for CID 54148129 is COCCCCC[Si]1CCC(c2cc(F)c(-c3ccc(C(F)=CF)c(F)c3)c(F)c2)CC1.
What is the InChIKey of CID 54148129?
The InChIKey is RUGQIEJMOYDESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F5OSi/c1-31-9-3-2-4-10-32-11-7-17(8-12-32)19-14-22(28)25(23(29)15-19)18-5-6-20(21(27)13-18)24(30)16-26/h5-6,13-17H,2-4,7-12H2,1H3.
What are the key properties of CID 54148129?
CID 54148129 has a molecular weight of 467.57 g/mol, XLogP of 8.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54148129 is sourced from PubChem (CID 54148129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).