2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline

C11H14Cl2F3NOSi — CID 140801931

IUPAC2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline
SMILESC[Si](C)(C)O[C@@H](c1cc(Cl)c(N)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H14Cl2F3NOSi/c1-19(2,3)18-10(11(14,15)16)6-4-7(12)9(17)8(13)5-6/h4-5,10H,17H2,1-3H3/t10-/m0/s1
InChIKeyJXJXLXIVYPFCPC-JTQLQIEISA-N
MW332.23 g/mol
LogP5.03
Rot. Bonds3

About 2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline

2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline (PubChem CID 140801931) has the molecular formula C11H14Cl2F3NOSi and a molecular weight of 332.23 g/mol. Its IUPAC name is 2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline
PubChem CID140801931
Molecular FormulaC11H14Cl2F3NOSi
Molecular Weight332.23 g/mol
Exact Mass331.02
IUPAC Name2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline
SMILESC[Si](C)(C)O[C@@H](c1cc(Cl)c(N)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H14Cl2F3NOSi/c1-19(2,3)18-10(11(14,15)16)6-4-7(12)9(17)8(13)5-6/h4-5,10H,17H2,1-3H3/t10-/m0/s1
InChIKeyJXJXLXIVYPFCPC-JTQLQIEISA-N
XLogP5.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.23
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Amino-3,5-dichlorophenyl)ethanol
CID 23162101
2-(4-Amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118070150
2-(4-Amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 130274649
1-(4-Amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol
CID 130274748
2,6-Dichloro-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)aniline
CID 130275816
(1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol
CID 130276472
2-(4-Amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 130276475
2,6-dichloro-4-[(2R)-1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl]aniline
CID 140801933
2,6-Dichloro-4-(1,1-difluoro-2-trimethylsilyloxypropan-2-yl)aniline
CID 140801935
2,6-Dichloro-3-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
CID 140801937
2,6-Dichloro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
CID 140801938
2-Chloro-6-fluoro-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
CID 140801941

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline?
The IUPAC name of 2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline (CID 140801931) is 2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline is C[Si](C)(C)O[C@@H](c1cc(Cl)c(N)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline?
The InChIKey is JXJXLXIVYPFCPC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14Cl2F3NOSi/c1-19(2,3)18-10(11(14,15)16)6-4-7(12)9(17)8(13)5-6/h4-5,10H,17H2,1-3H3/t10-/m0/s1.
What are the key properties of 2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline?
2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline has a molecular weight of 332.23 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]aniline is sourced from PubChem (CID 140801931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).