[4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane

C19H18ClF3OSi — CID 137346207

IUPAC[4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC(C#Cc1ccc(Cl)cc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H18ClF3OSi/c1-25(2,3)24-18(19(21,22)23,16-7-5-4-6-8-16)14-13-15-9-11-17(20)12-10-15/h4-12H,1-3H3
InChIKeyICLKQKGTKLYEBO-UHFFFAOYSA-N
MW382.89 g/mol
LogP6.00
Rot. Bonds3

About [4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane

[4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane (PubChem CID 137346207) has the molecular formula C19H18ClF3OSi and a molecular weight of 382.89 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane
PubChem CID137346207
Molecular FormulaC19H18ClF3OSi
Molecular Weight382.89 g/mol
Exact Mass382.08
IUPAC Name[4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC(C#Cc1ccc(Cl)cc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H18ClF3OSi/c1-25(2,3)24-18(19(21,22)23,16-7-5-4-6-8-16)14-13-15-9-11-17(20)12-10-15/h4-12H,1-3H3
InChIKeyICLKQKGTKLYEBO-UHFFFAOYSA-N
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-Chlorophenyl)-4-methyl-1-phenylpent-2-yne-1,4-diol
CID 12229731
Silane, trimethyl(2,2,2-trifluoro-1,1-diphenylethoxy)-
CID 11255795
alpha-(Difluoromethylene)-4-chlorobenzyloxytrimethylsilane
CID 11747440
(E)-2-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
CID 89157740
1,1,1-Trifluoro-2-phenyl-4-(4-chlorophenyl)-3-butyne-2-ol
CID 132570178
[(1S,2R)-1,2-bis(4-chlorophenyl)-3,3,4,4-tetrafluoro-2-trimethylsilyloxycyclobutyl]oxy-trimethylsilane
CID 15472630
1,1,1-Trifluoro-2-(4-chlorophenyl)-4-phenyl-3-butyne-2-ol
CID 16757027
4,4,4-Trifluoro-1,3-diphenyl-3-(trimethylsilyl-oxy)but-1-yne
CID 137346204
4,4,4-Trifluoro-1-(4-methylphenyl)-3-phenyl-3-(trimethylsilyloxy)but-1-yne
CID 137346206
3-(4-Chlorophenyl)-4,4,4-trifluoro-1-phenyl-3-(trimethylsilyloxy)but-1-yne
CID 137346208
4,4,4-Trifluoro-3-(3-methylphenyl)-1-phenyl-3-(trimethylsilyloxy)but-1-yne
CID 137346209
trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane
CID 139192189

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane?
The IUPAC name of [4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane (CID 137346207) is [4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane?
The canonical SMILES for [4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane is C[Si](C)(C)OC(C#Cc1ccc(Cl)cc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of [4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane?
The InChIKey is ICLKQKGTKLYEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3OSi/c1-25(2,3)24-18(19(21,22)23,16-7-5-4-6-8-16)14-13-15-9-11-17(20)12-10-15/h4-12H,1-3H3.
What are the key properties of [4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane?
[4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane has a molecular weight of 382.89 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-1,1,1-trifluoro-2-phenylbut-3-yn-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 137346207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).