CID 22902623

C18H26F3Si — CID 22902623

IUPAC—
SMILESFCCCCCCC[Si]1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H26F3Si/c19-10-4-2-1-3-5-11-22-12-8-15(9-13-22)16-6-7-17(20)18(21)14-16/h6-7,14-15H,1-5,8-13H2
InChIKeyBJHQVABPTMFROF-UHFFFAOYSA-N
MW327.49 g/mol
LogP6.26
Rot. Bonds8

About CID 22902623

CID 22902623 (PubChem CID 22902623) has the molecular formula C18H26F3Si and a molecular weight of 327.49 g/mol.

Molecular Properties

Compound NameCID 22902623
PubChem CID22902623
Molecular FormulaC18H26F3Si
Molecular Weight327.49 g/mol
Exact Mass327.18
IUPAC Name—
SMILESFCCCCCCC[Si]1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H26F3Si/c19-10-4-2-1-3-5-11-22-12-8-15(9-13-22)16-6-7-17(20)18(21)14-16/h6-7,14-15H,1-5,8-13H2
InChIKeyBJHQVABPTMFROF-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.49
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22902623?
The IUPAC name of CID 22902623 (CID 22902623) is not available.
What is the SMILES notation for CID 22902623?
The canonical SMILES for CID 22902623 is FCCCCCCC[Si]1CCC(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of CID 22902623?
The InChIKey is BJHQVABPTMFROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3Si/c19-10-4-2-1-3-5-11-22-12-8-15(9-13-22)16-6-7-17(20)18(21)14-16/h6-7,14-15H,1-5,8-13H2.
What are the key properties of CID 22902623?
CID 22902623 has a molecular weight of 327.49 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22902623 is sourced from PubChem (CID 22902623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).