benzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

C21H17F5OSi — CID 4581060

IUPACbenzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(OC(c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C21H17F5OSi/c1-28(2,21-18(25)16(23)15(22)17(24)19(21)26)27-20(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,20H,1-2H3
InChIKeyMWWJOEPBXAPOCZ-UHFFFAOYSA-N
MW408.44 g/mol
LogP5.60
Rot. Bonds5

About benzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

benzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 4581060) has the molecular formula C21H17F5OSi and a molecular weight of 408.44 g/mol. Its IUPAC name is benzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namebenzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID4581060
Molecular FormulaC21H17F5OSi
Molecular Weight408.44 g/mol
Exact Mass408.10
IUPAC Namebenzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(OC(c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C21H17F5OSi/c1-28(2,21-18(25)16(23)15(22)17(24)19(21)26)27-20(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,20H,1-2H3
InChIKeyMWWJOEPBXAPOCZ-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of benzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (CID 4581060) is benzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for benzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for benzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is C[Si](C)(OC(c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of benzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is MWWJOEPBXAPOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F5OSi/c1-28(2,21-18(25)16(23)15(22)17(24)19(21)26)27-20(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,20H,1-2H3.
What are the key properties of benzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
benzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 408.44 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 4581060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).