dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane

C14H13F5OSi — CID 57353025

IUPACdimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane
SMILESC[SiH](C)OC1(F)C(F)=C(F)C(F)=C(F)C1c1ccccc1
InChIInChI=1S/C14H13F5OSi/c1-21(2)20-14(19)9(8-6-4-3-5-7-8)10(15)11(16)12(17)13(14)18/h3-7,9,21H,1-2H3
InChIKeyFYFRZGRYXNHGFQ-UHFFFAOYSA-N
MW320.33 g/mol
LogP4.75
Rot. Bonds3

About dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane

dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane (PubChem CID 57353025) has the molecular formula C14H13F5OSi and a molecular weight of 320.33 g/mol. Its IUPAC name is dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane.

Molecular Properties

Compound Namedimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane
PubChem CID57353025
Molecular FormulaC14H13F5OSi
Molecular Weight320.33 g/mol
Exact Mass320.07
IUPAC Namedimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane
SMILESC[SiH](C)OC1(F)C(F)=C(F)C(F)=C(F)C1c1ccccc1
InChIInChI=1S/C14H13F5OSi/c1-21(2)20-14(19)9(8-6-4-3-5-7-8)10(15)11(16)12(17)13(14)18/h3-7,9,21H,1-2H3
InChIKeyFYFRZGRYXNHGFQ-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 53425747
CID 53425747
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(2,2-difluorocyclobutyl)benzene
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(4S,5S)-5-fluoro-2,5-dimethyl-3-methylsulfanyl-4-phenylcyclopent-2-en-1-one
CID 100963515
(1R,4S,5S)-5-fluoro-5-(hydroxymethyl)-2-methyl-3,4-diphenylcyclopent-2-en-1-ol
CID 138979310
4,4-dimethoxy-3,5-diphenylpyrazolidine
CID 90770156
carbanide;diphenyliodanium;ethane;triphenylsulfanium
CID 162244190
trifluoro(phenyliodoniooxy)boranuide
CID 102328105
bis[[(dimethylsilyloxy-methyl-phenylsilyl)oxy-methyl-phenylsilyl]oxy]-methyl-phenylsilane
CID 58231824
tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide
CID 174225846

Frequently Asked Questions

What is the IUPAC name of dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane?
The IUPAC name of dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane (CID 57353025) is dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane.
What is the SMILES notation for dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane?
The canonical SMILES for dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane is C[SiH](C)OC1(F)C(F)=C(F)C(F)=C(F)C1c1ccccc1.
What is the InChIKey of dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane?
The InChIKey is FYFRZGRYXNHGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5OSi/c1-21(2)20-14(19)9(8-6-4-3-5-7-8)10(15)11(16)12(17)13(14)18/h3-7,9,21H,1-2H3.
What are the key properties of dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane?
dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane has a molecular weight of 320.33 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1,2,3,4,5-pentafluoro-6-phenylcyclohexa-2,4-dien-1-yl)oxysilane is sourced from PubChem (CID 57353025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).