triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane

C16H23F3OSi — CID 11977273

IUPACtriethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane
SMILESC=C[C@H](O[Si](CC)(CC)CC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H23F3OSi/c1-5-15(20-21(6-2,7-3)8-4)13-9-11-14(12-10-13)16(17,18)19/h5,9-12,15H,1,6-8H2,2-4H3/t15-/m0/s1
InChIKeyQKKQHMVWMMAIKQ-HNNXBMFYSA-N
MW316.44 g/mol
LogP5.95
Rot. Bonds7

About triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane

triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane (PubChem CID 11977273) has the molecular formula C16H23F3OSi and a molecular weight of 316.44 g/mol. Its IUPAC name is triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane.

Molecular Properties

Compound Nametriethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane
PubChem CID11977273
Molecular FormulaC16H23F3OSi
Molecular Weight316.44 g/mol
Exact Mass316.15
IUPAC Nametriethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane
SMILESC=C[C@H](O[Si](CC)(CC)CC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H23F3OSi/c1-5-15(20-21(6-2,7-3)8-4)13-9-11-14(12-10-13)16(17,18)19/h5,9-12,15H,1,6-8H2,2-4H3/t15-/m0/s1
InChIKeyQKKQHMVWMMAIKQ-HNNXBMFYSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane?
The IUPAC name of triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane (CID 11977273) is triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane.
What is the SMILES notation for triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane?
The canonical SMILES for triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane is C=C[C@H](O[Si](CC)(CC)CC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane?
The InChIKey is QKKQHMVWMMAIKQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23F3OSi/c1-5-15(20-21(6-2,7-3)8-4)13-9-11-14(12-10-13)16(17,18)19/h5,9-12,15H,1,6-8H2,2-4H3/t15-/m0/s1.
What are the key properties of triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane?
triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane has a molecular weight of 316.44 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane is sourced from PubChem (CID 11977273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).