2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane

C25H34F2OSi — CID 141125794

IUPAC2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane
SMILESCC(C)(C)C[Si](C)(C)OCCCC1(c2ccc(F)cc2)CCc2cc(F)ccc21
InChIInChI=1S/C25H34F2OSi/c1-24(2,3)18-29(4,5)28-16-6-14-25(20-7-9-21(26)10-8-20)15-13-19-17-22(27)11-12-23(19)25/h7-12,17H,6,13-16,18H2,1-5H3
InChIKeyBNDDFDKLDNKRMN-UHFFFAOYSA-N
MW416.63 g/mol
LogP7.25
Rot. Bonds7

About 2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane

2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane (PubChem CID 141125794) has the molecular formula C25H34F2OSi and a molecular weight of 416.63 g/mol. Its IUPAC name is 2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Name2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane
PubChem CID141125794
Molecular FormulaC25H34F2OSi
Molecular Weight416.63 g/mol
Exact Mass416.23
IUPAC Name2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane
SMILESCC(C)(C)C[Si](C)(C)OCCCC1(c2ccc(F)cc2)CCc2cc(F)ccc21
InChIInChI=1S/C25H34F2OSi/c1-24(2,3)18-29(4,5)28-16-6-14-25(20-7-9-21(26)10-8-20)15-13-19-17-22(27)11-12-23(19)25/h7-12,17H,6,13-16,18H2,1-5H3
InChIKeyBNDDFDKLDNKRMN-UHFFFAOYSA-N
XLogP7.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.63
LogP ≤ 57.25
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

CID 59264433
CID 59264433
CID 21972408
CID 21972408
CID 22639102
CID 22639102
CID 22639108
CID 22639108
CID 22639117
CID 22639117
CID 22639120
CID 22639120
CID 22639121
CID 22639121
CID 22639129
CID 22639129
CID 22639132
CID 22639132
CID 69304700
CID 69304700
CID 69304704
CID 69304704
CID 69305262
CID 69305262

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane?
The IUPAC name of 2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane (CID 141125794) is 2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane.
What is the SMILES notation for 2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane?
The canonical SMILES for 2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane is CC(C)(C)C[Si](C)(C)OCCCC1(c2ccc(F)cc2)CCc2cc(F)ccc21.
What is the InChIKey of 2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane?
The InChIKey is BNDDFDKLDNKRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2OSi/c1-24(2,3)18-29(4,5)28-16-6-14-25(20-7-9-21(26)10-8-20)15-13-19-17-22(27)11-12-23(19)25/h7-12,17H,6,13-16,18H2,1-5H3.
What are the key properties of 2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane?
2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane has a molecular weight of 416.63 g/mol, XLogP of 7.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl-[3-[5-fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 141125794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).