benzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane

C16H17F3OSi — CID 91735409

IUPACbenzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane
SMILESC[Si](C)(Cc1ccccc1)OCc1cc(F)c(F)cc1F
InChIInChI=1S/C16H17F3OSi/c1-21(2,11-12-6-4-3-5-7-12)20-10-13-8-15(18)16(19)9-14(13)17/h3-9H,10-11H2,1-2H3
InChIKeyNGXNIDJOCRPNHA-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.61
Rot. Bonds5

About benzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane

benzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane (PubChem CID 91735409) has the molecular formula C16H17F3OSi and a molecular weight of 310.39 g/mol. Its IUPAC name is benzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane.

Molecular Properties

Compound Namebenzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane
PubChem CID91735409
Molecular FormulaC16H17F3OSi
Molecular Weight310.39 g/mol
Exact Mass310.10
IUPAC Namebenzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane
SMILESC[Si](C)(Cc1ccccc1)OCc1cc(F)c(F)cc1F
InChIInChI=1S/C16H17F3OSi/c1-21(2,11-12-6-4-3-5-7-12)20-10-13-8-15(18)16(19)9-14(13)17/h3-9H,10-11H2,1-2H3
InChIKeyNGXNIDJOCRPNHA-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Benzyloxytrimethylsilane
CID 518982
Benzene, [1-[(trimethylsilyl)oxy]ethenyl]-
CID 117406
Tert-butyl[(4-iodophenyl)methoxy]dimethylsilane
CID 10020633
2-(Dimethylphenylsilyl)benzyl alcohol
CID 11989421
1,1-Dimethyl-1,3-dihydrobenzo[c][1,2]oxasilole
CID 13085174
Silane, (2-chloroethyl)methylbis(phenylmethoxy)-
CID 94518
{2-[Dimethyl(2-methylphenyl)silyl]phenyl}methanol
CID 11989422
(2-((4-Fluorophenyl)dimethylsilyl)phenyl)methanol
CID 11989534
Silane, trimethyl(2,2,2-trifluoro-1,1-diphenylethoxy)-
CID 11255795
2,2-Difluoro-1-phenyl-1-trimethylsiloxyethene
CID 10889667
Silane, triethyl(phenylmethoxy)-
CID 563229
((1-(2-Fluorophenyl)vinyl)oxy)trimethylsilane
CID 10954822

Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane?
The IUPAC name of benzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane (CID 91735409) is benzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane.
What is the SMILES notation for benzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane?
The canonical SMILES for benzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane is C[Si](C)(Cc1ccccc1)OCc1cc(F)c(F)cc1F.
What is the InChIKey of benzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane?
The InChIKey is NGXNIDJOCRPNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3OSi/c1-21(2,11-12-6-4-3-5-7-12)20-10-13-8-15(18)16(19)9-14(13)17/h3-9H,10-11H2,1-2H3.
What are the key properties of benzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane?
benzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane has a molecular weight of 310.39 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-[(2,4,5-trifluorophenyl)methoxy]silane is sourced from PubChem (CID 91735409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).