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

C25H27F3O2Si — CID 91732755

IUPACheptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
SMILESCCCCCCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27F3O2Si/c1-2-3-4-5-12-19-29-31(20-13-8-6-9-14-20,21-15-10-7-11-16-21)30-23-18-17-22(26)24(27)25(23)28/h6-11,13-18H,2-5,12,19H2,1H3
InChIKeyUHGIGRGZNIGLJH-UHFFFAOYSA-N
MW444.57 g/mol
LogP5.73
Rot. Bonds11

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

heptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane (PubChem CID 91732755) has the molecular formula C25H27F3O2Si and a molecular weight of 444.57 g/mol. Its IUPAC name is heptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane.

Molecular Properties

Compound Nameheptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
PubChem CID91732755
Molecular FormulaC25H27F3O2Si
Molecular Weight444.57 g/mol
Exact Mass444.17
IUPAC Nameheptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
SMILESCCCCCCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27F3O2Si/c1-2-3-4-5-12-19-29-31(20-13-8-6-9-14-20,21-15-10-7-11-16-21)30-23-18-17-22(26)24(27)25(23)28/h6-11,13-18H,2-5,12,19H2,1H3
InChIKeyUHGIGRGZNIGLJH-UHFFFAOYSA-N
XLogP5.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.57
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyltriphenoxysilane
CID 629516
Triphenoxyvinylsilane
CID 87746
Diphenoxydiphenylsilane
CID 102045
Fluorophenylborate
CID 67050242
Phenyl-tri(phenoxy)silane
CID 6426512
1,3-Difluoro-5-octyldimethylsilyloxybenzene
CID 530877
1-Cyclohexyldimethylsilyloxy-3,5-difluorobenzene
CID 530904
1,3-Difluoro-5-pentafluorophenyldimethylsilyloxybenzene
CID 530910
1,3-Difluoro-5-tributylsilyloxybenzene
CID 530918
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)isobutoxy-
CID 91717505
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)propoxy-
CID 91717570
Silane, dimethyl(3-fluorophenoxy)propoxy-
CID 91725871

Frequently Asked Questions

What is the IUPAC name of heptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The IUPAC name of heptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane (CID 91732755) is heptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane.
What is the SMILES notation for heptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The canonical SMILES for heptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane is CCCCCCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of heptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The InChIKey is UHGIGRGZNIGLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3O2Si/c1-2-3-4-5-12-19-29-31(20-13-8-6-9-14-20,21-15-10-7-11-16-21)30-23-18-17-22(26)24(27)25(23)28/h6-11,13-18H,2-5,12,19H2,1H3.
What are the key properties of heptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
heptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane has a molecular weight of 444.57 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-diphenyl-(2,3,4-trifluorophenoxy)silane is sourced from PubChem (CID 91732755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).