N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline

C14H22BrF2NOSi — CID 162535643

IUPACN-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1NCC(F)(F)Br
InChIInChI=1S/C14H22BrF2NOSi/c1-13(2,3)20(4,5)19-12-9-7-6-8-11(12)18-10-14(15,16)17/h6-9,18H,10H2,1-5H3
InChIKeyQCSDUIFMQRLDHP-UHFFFAOYSA-N
MW366.32 g/mol
LogP5.47
Rot. Bonds5

About N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline

N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline (PubChem CID 162535643) has the molecular formula C14H22BrF2NOSi and a molecular weight of 366.32 g/mol. Its IUPAC name is N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline.

Molecular Properties

Compound NameN-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline
PubChem CID162535643
Molecular FormulaC14H22BrF2NOSi
Molecular Weight366.32 g/mol
Exact Mass365.06
IUPAC NameN-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1NCC(F)(F)Br
InChIInChI=1S/C14H22BrF2NOSi/c1-13(2,3)20(4,5)19-12-9-7-6-8-11(12)18-10-14(15,16)17/h6-9,18H,10H2,1-5H3
InChIKeyQCSDUIFMQRLDHP-UHFFFAOYSA-N
XLogP5.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.32
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-{[tert-butyl(dimethyl)silyl]oxy}phenyl)-2,2,2-trifluoroacetamide
CID 10687105
2-(2,2,2-Trifluoroethylamino)phenol
CID 17802863
2-(3,3-Difluoroprop-2-enylamino)phenol
CID 20456253
N-hexyl-2-(trifluoromethoxy)aniline
CID 29006590
N-pentyl-2-(trifluoromethoxy)aniline
CID 29789101
N-methyl-2-(trifluoromethylperoxy)aniline
CID 58024900
[5-Fluoro-2-(methylamino)phenyl] hypobromite
CID 155307658
4-[tert-butyl(dimethyl)silyl]oxy-N-(2,2,2-trifluoroethyl)aniline
CID 169251949
N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide
CID 10759076
N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline
CID 60874127
N-(2,2-dimethylpropyl)-2-(trifluoromethoxy)aniline
CID 61323899
N-butyl-5-fluoro-2-[oxo(phenoxy)silyl]oxyaniline
CID 141306151

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline?
The IUPAC name of N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline (CID 162535643) is N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline.
What is the SMILES notation for N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline?
The canonical SMILES for N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline is CC(C)(C)[Si](C)(C)Oc1ccccc1NCC(F)(F)Br.
What is the InChIKey of N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline?
The InChIKey is QCSDUIFMQRLDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrF2NOSi/c1-13(2,3)20(4,5)19-12-9-7-6-8-11(12)18-10-14(15,16)17/h6-9,18H,10H2,1-5H3.
What are the key properties of N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline?
N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline has a molecular weight of 366.32 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2,2-difluoroethyl)-2-[tert-butyl(dimethyl)silyl]oxyaniline is sourced from PubChem (CID 162535643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).