CID 86674726

C25H29F2N2O3Si — CID 86674726

IUPAC—
SMILESCCOCn1cc(C(O[Si](c2ccccc2)c2ccccc2)C(C)(C)C)nc1C(=O)C(F)F
InChIInChI=1S/C25H29F2N2O3Si/c1-5-31-17-29-16-20(28-24(29)21(30)23(26)27)22(25(2,3)4)32-33(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-16,22-23H,5,17H2,1-4H3
InChIKeyABYLNWOFYPODEO-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.23
Rot. Bonds10

About CID 86674726

CID 86674726 (PubChem CID 86674726) has the molecular formula C25H29F2N2O3Si and a molecular weight of 471.60 g/mol.

Molecular Properties

Compound NameCID 86674726
PubChem CID86674726
Molecular FormulaC25H29F2N2O3Si
Molecular Weight471.60 g/mol
Exact Mass471.19
IUPAC Name—
SMILESCCOCn1cc(C(O[Si](c2ccccc2)c2ccccc2)C(C)(C)C)nc1C(=O)C(F)F
InChIInChI=1S/C25H29F2N2O3Si/c1-5-31-17-29-16-20(28-24(29)21(30)23(26)27)22(25(2,3)4)32-33(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-16,22-23H,5,17H2,1-4H3
InChIKeyABYLNWOFYPODEO-UHFFFAOYSA-N
XLogP4.23
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 86674726?
The IUPAC name of CID 86674726 (CID 86674726) is not available.
What is the SMILES notation for CID 86674726?
The canonical SMILES for CID 86674726 is CCOCn1cc(C(O[Si](c2ccccc2)c2ccccc2)C(C)(C)C)nc1C(=O)C(F)F.
What is the InChIKey of CID 86674726?
The InChIKey is ABYLNWOFYPODEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N2O3Si/c1-5-31-17-29-16-20(28-24(29)21(30)23(26)27)22(25(2,3)4)32-33(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-16,22-23H,5,17H2,1-4H3.
What are the key properties of CID 86674726?
CID 86674726 has a molecular weight of 471.60 g/mol, XLogP of 4.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86674726 is sourced from PubChem (CID 86674726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).