[(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane

C14H16ClF3Si — CID 166441343

IUPAC[(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C[C@H](CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClF3Si/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-/m1/s1
InChIKeyYDICOFMQVQCNAO-GFCCVEGCSA-N
MW304.81 g/mol
LogP5.26
Rot. Bonds2

About [(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane

[(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane (PubChem CID 166441343) has the molecular formula C14H16ClF3Si and a molecular weight of 304.81 g/mol. Its IUPAC name is [(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane
PubChem CID166441343
Molecular FormulaC14H16ClF3Si
Molecular Weight304.81 g/mol
Exact Mass304.07
IUPAC Name[(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C[C@H](CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClF3Si/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-/m1/s1
InChIKeyYDICOFMQVQCNAO-GFCCVEGCSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.81
LogP ≤ 55.26
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

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CID 12187360
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CID 53253526
CID 53253526
CID 11651283
CID 11651283
CID 56847193
CID 56847193
CID 125480604
CID 125480604
CID 141357269
CID 141357269
CID 141759397
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CID 14148758
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CID 11415546
CID 11415546

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane?
The IUPAC name of [(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane (CID 166441343) is [(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane is C[Si](C)(C)C#C[C@H](CC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of [(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane?
The InChIKey is YDICOFMQVQCNAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16ClF3Si/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-/m1/s1.
What are the key properties of [(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane?
[(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane has a molecular weight of 304.81 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-chlorophenyl)-5,5,5-trifluoropent-1-ynyl]-trimethylsilane is sourced from PubChem (CID 166441343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).