trimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane

C14H17F3Si — CID 166442758

IUPACtrimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane
SMILESC[Si](C)(C)C#C[C@@H](CC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H17F3Si/c1-18(2,3)10-9-13(11-14(15,16)17)12-7-5-4-6-8-12/h4-8,13H,11H2,1-3H3/t13-/m0/s1
InChIKeyJZIPSDGWZYAYPN-ZDUSSCGKSA-N
MW270.37 g/mol
LogP4.60
Rot. Bonds2

About trimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane

trimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane (PubChem CID 166442758) has the molecular formula C14H17F3Si and a molecular weight of 270.37 g/mol. Its IUPAC name is trimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane
PubChem CID166442758
Molecular FormulaC14H17F3Si
Molecular Weight270.37 g/mol
Exact Mass270.11
IUPAC Nametrimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane
SMILESC[Si](C)(C)C#C[C@@H](CC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H17F3Si/c1-18(2,3)10-9-13(11-14(15,16)17)12-7-5-4-6-8-12/h4-8,13H,11H2,1-3H3/t13-/m0/s1
InChIKeyJZIPSDGWZYAYPN-ZDUSSCGKSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Phenyl-2-(trimethylsilyl)acetylene
CID 137464
1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene
CID 4178887
(4-Fluorophenylethynyl)trimethylsilane
CID 5102724
1-(Dimethylsilyl)-2-phenylacetylene
CID 11062683
((1,1'-Biphenyl)-4-ylethynyl)trimethylsilane
CID 12579655
Silane, trimethyl[4-(trifluoromethyl)phenyl]-
CID 10987739
Silane, trimethylphenethyl-
CID 285873
2-[(Trimethylsilyl)ethynyl]toluene
CID 4463281
1-[(Trimethylsilyl)ethynyl]-3-fluorobenzene
CID 4571339
1-Fluoro-2-(2-(trimethylsilyl)ethynyl)benzene
CID 16217265
(4-Ethynylphenyl)trimethylsilane
CID 22627839
(3,5-Bis(trifluoromethyl)phenylethynyl)trimethylsilane
CID 4380504

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane?
The IUPAC name of trimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane (CID 166442758) is trimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane?
The canonical SMILES for trimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane is C[Si](C)(C)C#C[C@@H](CC(F)(F)F)c1ccccc1.
What is the InChIKey of trimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane?
The InChIKey is JZIPSDGWZYAYPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17F3Si/c1-18(2,3)10-9-13(11-14(15,16)17)12-7-5-4-6-8-12/h4-8,13H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of trimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane?
trimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane has a molecular weight of 270.37 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3S)-5,5,5-trifluoro-3-phenylpent-1-ynyl]silane is sourced from PubChem (CID 166442758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).