CID 19428880

C21H30ClF2OSi — CID 19428880

IUPAC—
SMILESCCOc1ccc(C2CCC(CCC3CC[Si](Cl)CC3)CC2)c(F)c1F
InChIInChI=1S/C21H30ClF2OSi/c1-2-25-19-10-9-18(20(23)21(19)24)17-7-5-15(6-8-17)3-4-16-11-13-26(22)14-12-16/h9-10,15-17H,2-8,11-14H2,1H3
InChIKeyKHFXEDHTSVZLFG-UHFFFAOYSA-N
MW400.01 g/mol
LogP7.06
Rot. Bonds6

About CID 19428880

CID 19428880 (PubChem CID 19428880) has the molecular formula C21H30ClF2OSi and a molecular weight of 400.01 g/mol.

Molecular Properties

Compound NameCID 19428880
PubChem CID19428880
Molecular FormulaC21H30ClF2OSi
Molecular Weight400.01 g/mol
Exact Mass399.17
IUPAC Name—
SMILESCCOc1ccc(C2CCC(CCC3CC[Si](Cl)CC3)CC2)c(F)c1F
InChIInChI=1S/C21H30ClF2OSi/c1-2-25-19-10-9-18(20(23)21(19)24)17-7-5-15(6-8-17)3-4-16-11-13-26(22)14-12-16/h9-10,15-17H,2-8,11-14H2,1H3
InChIKeyKHFXEDHTSVZLFG-UHFFFAOYSA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.01
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 58140713
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Frequently Asked Questions

What is the IUPAC name of CID 19428880?
The IUPAC name of CID 19428880 (CID 19428880) is not available.
What is the SMILES notation for CID 19428880?
The canonical SMILES for CID 19428880 is CCOc1ccc(C2CCC(CCC3CC[Si](Cl)CC3)CC2)c(F)c1F.
What is the InChIKey of CID 19428880?
The InChIKey is KHFXEDHTSVZLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClF2OSi/c1-2-25-19-10-9-18(20(23)21(19)24)17-7-5-15(6-8-17)3-4-16-11-13-26(22)14-12-16/h9-10,15-17H,2-8,11-14H2,1H3.
What are the key properties of CID 19428880?
CID 19428880 has a molecular weight of 400.01 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19428880 is sourced from PubChem (CID 19428880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).