trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane

C14H21F3O2Si — CID 175436607

IUPACtrimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane
SMILESC[Si](C)(C)OC(C(F)F)C(F)COCc1ccccc1
InChIInChI=1S/C14H21F3O2Si/c1-20(2,3)19-13(14(16)17)12(15)10-18-9-11-7-5-4-6-8-11/h4-8,12-14H,9-10H2,1-3H3
InChIKeyAWFDMROGBQNMBE-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.03
Rot. Bonds8

About trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane

trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane (PubChem CID 175436607) has the molecular formula C14H21F3O2Si and a molecular weight of 306.40 g/mol. Its IUPAC name is trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane.

Molecular Properties

Compound Nametrimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane
PubChem CID175436607
Molecular FormulaC14H21F3O2Si
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Nametrimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane
SMILESC[Si](C)(C)OC(C(F)F)C(F)COCc1ccccc1
InChIInChI=1S/C14H21F3O2Si/c1-20(2,3)19-13(14(16)17)12(15)10-18-9-11-7-5-4-6-8-11/h4-8,12-14H,9-10H2,1-3H3
InChIKeyAWFDMROGBQNMBE-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
CID 134878735
[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane
CID 71446134
2-fluorobutoxymethylbenzene
CID 121368179
(2R,3R,4R,5R)-2,4,5-trifluoro-1,6-bis(phenylmethoxy)hexan-3-ol
CID 15965591
2,3-difluoropropoxymethylbenzene
CID 86233522
1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine
CID 130950125
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
[(2R)-3-chloro-2-fluoropropoxy]methylbenzene
CID 69067716
(2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide
CID 156782553
propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate
CID 101383246
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
trimethyl-[(Z,4R)-4-methyl-1-phenyl-5-phenylmethoxypent-2-en-2-yl]silane
CID 101162239

Frequently Asked Questions

What is the IUPAC name of trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane?
The IUPAC name of trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane (CID 175436607) is trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane.
What is the SMILES notation for trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane?
The canonical SMILES for trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane is C[Si](C)(C)OC(C(F)F)C(F)COCc1ccccc1.
What is the InChIKey of trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane?
The InChIKey is AWFDMROGBQNMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3O2Si/c1-20(2,3)19-13(14(16)17)12(15)10-18-9-11-7-5-4-6-8-11/h4-8,12-14H,9-10H2,1-3H3.
What are the key properties of trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane?
trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane has a molecular weight of 306.40 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1,1,3-trifluoro-4-phenylmethoxybutan-2-yl)oxysilane is sourced from PubChem (CID 175436607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).