2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane

C22H21F3O2Si — CID 91732732

IUPAC2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
SMILESCC(C)CO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21F3O2Si/c1-16(2)15-26-28(17-9-5-3-6-10-17,18-11-7-4-8-12-18)27-20-14-13-19(23)21(24)22(20)25/h3-14,16H,15H2,1-2H3
InChIKeyRNPKCFXTBSFAGU-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.41
Rot. Bonds7

About 2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane

2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane (PubChem CID 91732732) has the molecular formula C22H21F3O2Si and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane.

Molecular Properties

Compound Name2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
PubChem CID91732732
Molecular FormulaC22H21F3O2Si
Molecular Weight402.49 g/mol
Exact Mass402.13
IUPAC Name2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
SMILESCC(C)CO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21F3O2Si/c1-16(2)15-26-28(17-9-5-3-6-10-17,18-11-7-4-8-12-18)27-20-14-13-19(23)21(24)22(20)25/h3-14,16H,15H2,1-2H3
InChIKeyRNPKCFXTBSFAGU-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-Butyl(4-fluorophenoxy)dimethylsilane
CID 13683074
tert-Butyl(2-fluorophenoxy)dimethylsilane
CID 597214
Methyltriphenoxysilane
CID 629516
Triphenoxyvinylsilane
CID 87746
Diphenoxydiphenylsilane
CID 102045
tert-Butyl(2,5-difluorophenoxy)dimethylsilane
CID 11230299
Fluorophenylborate
CID 67050242
Phenyl-tri(phenoxy)silane
CID 6426512
1-Cyclohexyldimethylsilyloxy-3,5-difluorobenzene
CID 530904
1,3-Difluoro-5-pentafluorophenyldimethylsilyloxybenzene
CID 530910
1,3-Difluoro-5-tributylsilyloxybenzene
CID 530918
2,3,4-Trifluorophenol, tert-butyldimethylsilyl ether
CID 91697441

Frequently Asked Questions

What is the IUPAC name of 2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The IUPAC name of 2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane (CID 91732732) is 2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane.
What is the SMILES notation for 2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The canonical SMILES for 2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane is CC(C)CO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The InChIKey is RNPKCFXTBSFAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3O2Si/c1-16(2)15-26-28(17-9-5-3-6-10-17,18-11-7-4-8-12-18)27-20-14-13-19(23)21(24)22(20)25/h3-14,16H,15H2,1-2H3.
What are the key properties of 2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane has a molecular weight of 402.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropoxy-diphenyl-(2,3,4-trifluorophenoxy)silane is sourced from PubChem (CID 91732732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).