5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane

C20H34F2O3Si — CID 90174590

IUPAC5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](CCCCCc1ccc(F)cc1F)(OC(C)C)OC(C)C
InChIInChI=1S/C20H34F2O3Si/c1-15(2)23-26(24-16(3)4,25-17(5)6)13-9-7-8-10-18-11-12-19(21)14-20(18)22/h11-12,14-17H,7-10,13H2,1-6H3
InChIKeyXEPNQRCOVOSIBF-UHFFFAOYSA-N
MW388.57 g/mol
LogP5.89
Rot. Bonds12

About 5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane

5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane (PubChem CID 90174590) has the molecular formula C20H34F2O3Si and a molecular weight of 388.57 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane
PubChem CID90174590
Molecular FormulaC20H34F2O3Si
Molecular Weight388.57 g/mol
Exact Mass388.22
IUPAC Name5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](CCCCCc1ccc(F)cc1F)(OC(C)C)OC(C)C
InChIInChI=1S/C20H34F2O3Si/c1-15(2)23-26(24-16(3)4,25-17(5)6)13-9-7-8-10-18-11-12-19(21)14-20(18)22/h11-12,14-17H,7-10,13H2,1-6H3
InChIKeyXEPNQRCOVOSIBF-UHFFFAOYSA-N
XLogP5.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.57
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
CID 90172610
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825
tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90171416
4-(2,4-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90172191
5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane
CID 90173469
tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90172630
5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane
CID 90172058
6-(4-fluorophenyl)hexyl-methoxy-di(propan-2-yloxy)silane
CID 90174604
4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane
CID 90170935
4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane
CID 90175118
2,4-difluoro-1-pentylbenzene
CID 20770613
5-(2,4-difluorophenyl)pentan-2-ol
CID 64516740

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane?
The IUPAC name of 5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane (CID 90174590) is 5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane.
What is the SMILES notation for 5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane?
The canonical SMILES for 5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane is CC(C)O[Si](CCCCCc1ccc(F)cc1F)(OC(C)C)OC(C)C.
What is the InChIKey of 5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane?
The InChIKey is XEPNQRCOVOSIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F2O3Si/c1-15(2)23-26(24-16(3)4,25-17(5)6)13-9-7-8-10-18-11-12-19(21)14-20(18)22/h11-12,14-17H,7-10,13H2,1-6H3.
What are the key properties of 5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane?
5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane has a molecular weight of 388.57 g/mol, XLogP of 5.89, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane is sourced from PubChem (CID 90174590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).