diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane

C17H27F3Si — CID 162621887

IUPACdiethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
SMILESCC[SiH](CC)CCCCCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H27F3Si/c1-3-21(4-2)13-8-6-5-7-10-15-11-9-12-16(14-15)17(18,19)20/h9,11-12,14,21H,3-8,10,13H2,1-2H3
InChIKeyAYUPIDVAAYZTEO-UHFFFAOYSA-N
MW316.48 g/mol
LogP6.08
Rot. Bonds9

About diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane

diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane (PubChem CID 162621887) has the molecular formula C17H27F3Si and a molecular weight of 316.48 g/mol. Its IUPAC name is diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane.

Molecular Properties

Compound Namediethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
PubChem CID162621887
Molecular FormulaC17H27F3Si
Molecular Weight316.48 g/mol
Exact Mass316.18
IUPAC Namediethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
SMILESCC[SiH](CC)CCCCCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H27F3Si/c1-3-21(4-2)13-8-6-5-7-10-15-11-9-12-16(14-15)17(18,19)20/h9,11-12,14,21H,3-8,10,13H2,1-2H3
InChIKeyAYUPIDVAAYZTEO-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.48
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 90174032
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
CID 90171829
CID 90171829
6-[3-(trifluoromethyl)phenyl]hexanenitrile
CID 54276066
CID 90171032
CID 90171032
3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170887677
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695
CID 90171309
CID 90171309
3-ethyl-4-[4-[3-(trifluoromethyl)phenyl]butyl]pyridine
CID 14883795
1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene
CID 141200659
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860

Frequently Asked Questions

What is the IUPAC name of diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane?
The IUPAC name of diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane (CID 162621887) is diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane.
What is the SMILES notation for diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane?
The canonical SMILES for diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane is CC[SiH](CC)CCCCCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane?
The InChIKey is AYUPIDVAAYZTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3Si/c1-3-21(4-2)13-8-6-5-7-10-15-11-9-12-16(14-15)17(18,19)20/h9,11-12,14,21H,3-8,10,13H2,1-2H3.
What are the key properties of diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane?
diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane has a molecular weight of 316.48 g/mol, XLogP of 6.08, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane is sourced from PubChem (CID 162621887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).