[(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane

C14H16BrF3Si — CID 166443435

IUPAC[(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C[C@@H](CC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrF3Si/c1-19(2,3)9-8-12(10-14(16,17)18)11-4-6-13(15)7-5-11/h4-7,12H,10H2,1-3H3/t12-/m0/s1
InChIKeyGCUAKFRMRGSALY-LBPRGKRZSA-N
MW349.27 g/mol
LogP5.37
Rot. Bonds2

About [(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane

[(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane (PubChem CID 166443435) has the molecular formula C14H16BrF3Si and a molecular weight of 349.27 g/mol. Its IUPAC name is [(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane
PubChem CID166443435
Molecular FormulaC14H16BrF3Si
Molecular Weight349.27 g/mol
Exact Mass348.02
IUPAC Name[(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C[C@@H](CC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrF3Si/c1-19(2,3)9-8-12(10-14(16,17)18)11-4-6-13(15)7-5-11/h4-7,12H,10H2,1-3H3/t12-/m0/s1
InChIKeyGCUAKFRMRGSALY-LBPRGKRZSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.27
LogP ≤ 55.37
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

(4-Bromophenylethynyl)trimethylsilane
CID 4226980
(4-Bromobenzyl)trimethylsilane
CID 5043463
1-Bromo-4-(4,4-difluorocyclohexyl)benzene
CID 115050905
4-Bromo-2-fluoro-1-(1-methylethyl)benzene
CID 21051092
1-Bromo-4-(1,1-difluoropropyl)benzene
CID 54772247
1-Bromo-4-(2,2,2-trifluoro-1,1-dimethylethyl)benzene
CID 58538761
1-Bromo-4-(3,3-difluorocyclobutyl)benzene
CID 59440857
2-Bromo-1,3-difluoro-5-(propan-2-yl)benzene
CID 59578546
[2-(3-Bromo-4-fluorophenyl)ethynyl]trimethylsilane
CID 146155433
(+/-)-1-Bromo-4-(trans-2-(trifluoromethyl)cyclopropyl)benzene
CID 56847192
1-Bromo-4-(3,3,3-trifluoroprop-1-yn-1-yl)benzene
CID 56958306
1-Bromo-4-(4,4,4-trifluorobut-1-ynyl)benzene
CID 60203749

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane?
The IUPAC name of [(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane (CID 166443435) is [(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane is C[Si](C)(C)C#C[C@@H](CC(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of [(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane?
The InChIKey is GCUAKFRMRGSALY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16BrF3Si/c1-19(2,3)9-8-12(10-14(16,17)18)11-4-6-13(15)7-5-11/h4-7,12H,10H2,1-3H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane?
[(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane has a molecular weight of 349.27 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-bromophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane is sourced from PubChem (CID 166443435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).