2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol

C19H22F5NOSi — CID 123669813

IUPAC2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol
SMILESCN(c1c(F)c(F)c(F)c(F)c1F)[Si](C)(C)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C19H22F5NOSi/c1-19(2,3)10-8-7-9-11(18(10)26)27(5,6)25(4)17-15(23)13(21)12(20)14(22)16(17)24/h7-9,26H,1-6H3
InChIKeyOPRIRRPRSLFVJK-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.93
Rot. Bonds3

About 2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol

2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol (PubChem CID 123669813) has the molecular formula C19H22F5NOSi and a molecular weight of 403.47 g/mol. Its IUPAC name is 2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol
PubChem CID123669813
Molecular FormulaC19H22F5NOSi
Molecular Weight403.47 g/mol
Exact Mass403.14
IUPAC Name2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol
SMILESCN(c1c(F)c(F)c(F)c(F)c1F)[Si](C)(C)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C19H22F5NOSi/c1-19(2,3)10-8-7-9-11(18(10)26)27(5,6)25(4)17-15(23)13(21)12(20)14(22)16(17)24/h7-9,26H,1-6H3
InChIKeyOPRIRRPRSLFVJK-UHFFFAOYSA-N
XLogP4.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol;dichlorozirconium
CID 123669812
2-tert-butyl-6-[dimethyl-[methyl(trimethylsilyl)amino]silyl]phenol
CID 123384663
2-tert-butyl-6-[[cyclopentyl(methyl)amino]-dimethylsilyl]phenol
CID 123383962
2-tert-butyl-6-[dimethyl-[methyl(naphthalen-1-yl)amino]silyl]phenol;dichlorozirconium
CID 123642895
2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium
CID 123507589
2-tert-butyl-6-[[indol-1-yl(methyl)amino]-dimethylsilyl]phenol
CID 123985238
2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium
CID 123300836
2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
2-tert-butyl-6-methylphenol
CID 16678
2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol
CID 140654230
2-tert-butyl-6-methylphenol;methane
CID 159779150
1-(3-tert-butyl-2-hydroxyphenyl)-2,2,2-trichloroethanone
CID 14613452

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol?
The IUPAC name of 2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol (CID 123669813) is 2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol is CN(c1c(F)c(F)c(F)c(F)c1F)[Si](C)(C)c1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol?
The InChIKey is OPRIRRPRSLFVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F5NOSi/c1-19(2,3)10-8-7-9-11(18(10)26)27(5,6)25(4)17-15(23)13(21)12(20)14(22)16(17)24/h7-9,26H,1-6H3.
What are the key properties of 2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol?
2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol has a molecular weight of 403.47 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[dimethyl-(2,3,4,5,6-pentafluoro-N-methylanilino)silyl]phenol is sourced from PubChem (CID 123669813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).