[1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane

C24H33ClF2OSi — CID 160665808

IUPAC[1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCCc1cc(F)cc(F)c1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C24H33ClF2OSi/c1-6-29(7-2,8-3)28-23(24-18(5)12-17(4)13-22(24)25)11-9-10-19-14-20(26)16-21(27)15-19/h12-16,23H,6-11H2,1-5H3
InChIKeyASVLOZHPQFEAJX-UHFFFAOYSA-N
MW439.06 g/mol
LogP8.32
Rot. Bonds10

About [1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane

[1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane (PubChem CID 160665808) has the molecular formula C24H33ClF2OSi and a molecular weight of 439.06 g/mol. Its IUPAC name is [1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane.

Molecular Properties

Compound Name[1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane
PubChem CID160665808
Molecular FormulaC24H33ClF2OSi
Molecular Weight439.06 g/mol
Exact Mass438.20
IUPAC Name[1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCCc1cc(F)cc(F)c1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C24H33ClF2OSi/c1-6-29(7-2,8-3)28-23(24-18(5)12-17(4)13-22(24)25)11-9-10-19-14-20(26)16-21(27)15-19/h12-16,23H,6-11H2,1-5H3
InChIKeyASVLOZHPQFEAJX-UHFFFAOYSA-N
XLogP8.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.06
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane?
The IUPAC name of [1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane (CID 160665808) is [1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane.
What is the SMILES notation for [1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane?
The canonical SMILES for [1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane is CC[Si](CC)(CC)OC(CCCc1cc(F)cc(F)c1)c1c(C)cc(C)cc1Cl.
What is the InChIKey of [1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane?
The InChIKey is ASVLOZHPQFEAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClF2OSi/c1-6-29(7-2,8-3)28-23(24-18(5)12-17(4)13-22(24)25)11-9-10-19-14-20(26)16-21(27)15-19/h12-16,23H,6-11H2,1-5H3.
What are the key properties of [1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane?
[1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane has a molecular weight of 439.06 g/mol, XLogP of 8.32, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane is sourced from PubChem (CID 160665808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).