trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane

C14H17F3OSi — CID 11781130

IUPACtrimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane
SMILESC[Si](C)(C)C#C[C@H](OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C14H17F3OSi/c1-19(2,3)10-9-13(14(15,16)17)18-11-12-7-5-4-6-8-12/h4-8,13H,11H2,1-3H3/t13-/m0/s1
InChIKeyNEWCGGBXKLHZCV-ZDUSSCGKSA-N
MW286.37 g/mol
LogP4.01
Rot. Bonds3

About trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane

trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane (PubChem CID 11781130) has the molecular formula C14H17F3OSi and a molecular weight of 286.37 g/mol. Its IUPAC name is trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane
PubChem CID11781130
Molecular FormulaC14H17F3OSi
Molecular Weight286.37 g/mol
Exact Mass286.10
IUPAC Nametrimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane
SMILESC[Si](C)(C)C#C[C@H](OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C14H17F3OSi/c1-19(2,3)10-9-13(14(15,16)17)18-11-12-7-5-4-6-8-12/h4-8,13H,11H2,1-3H3/t13-/m0/s1
InChIKeyNEWCGGBXKLHZCV-ZDUSSCGKSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.01
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

[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane
CID 10540448
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CID 11748406
(3R,4S,5S,6S)-4,5,6-tris(phenylmethoxy)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102210980
5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol
CID 57078353
1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069
2-(1,1,1,4,4,4-hexafluoro-3-phenylmethoxybutan-2-yl)benzoic acid
CID 87529286
[(1R)-2,2,2-trifluoro-1-phenylmethoxyethyl] methanesulfonate
CID 15970770
N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide
CID 102281928
methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 102059602
2,2-difluoro-1-phenylmethoxybutan-1-amine
CID 54533469
(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane
CID 166637296
(3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol
CID 11456085

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane?
The IUPAC name of trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane (CID 11781130) is trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane?
The canonical SMILES for trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane is C[Si](C)(C)C#C[C@H](OCc1ccccc1)C(F)(F)F.
What is the InChIKey of trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane?
The InChIKey is NEWCGGBXKLHZCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17F3OSi/c1-19(2,3)10-9-13(14(15,16)17)18-11-12-7-5-4-6-8-12/h4-8,13H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane?
trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane has a molecular weight of 286.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3S)-4,4,4-trifluoro-3-phenylmethoxybut-1-ynyl]silane is sourced from PubChem (CID 11781130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).