3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline

C17H17F2NSi — CID 131747401

IUPAC3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline
SMILESC[Si](C)(C)C#Cc1cc(N)cc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C17H17F2NSi/c1-21(2,3)7-6-12-8-13(10-15(20)9-12)16-5-4-14(18)11-17(16)19/h4-5,8-11H,20H2,1-3H3
InChIKeyXYMZQXQQCZVAON-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.44
Rot. Bonds1

About 3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline

3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline (PubChem CID 131747401) has the molecular formula C17H17F2NSi and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline
PubChem CID131747401
Molecular FormulaC17H17F2NSi
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline
SMILESC[Si](C)(C)C#Cc1cc(N)cc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C17H17F2NSi/c1-21(2,3)7-6-12-8-13(10-15(20)9-12)16-5-4-14(18)11-17(16)19/h4-5,8-11H,20H2,1-3H3
InChIKeyXYMZQXQQCZVAON-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-difluorophenyl)benzene-1,2-diamine
CID 172847210
4-(2,4-difluorophenyl)-3-fluoroaniline
CID 57415152
3-bromo-5-(2,4-difluorophenyl)benzonitrile
CID 171663295
5-(2,4-difluorophenyl)benzene-1,3-diol
CID 171771394
4-(2,4-difluorophenyl)pyridine
CID 45036856
3-chloro-5-(2,4-difluorophenyl)pyridin-2-amine
CID 168665656
[2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol
CID 151363788
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525304
5-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199002
3-(2,5-difluorophenyl)-5-methoxyaniline
CID 156592012
4-(2,4-difluorophenyl)-2,6-diphenylpyridine
CID 102527083
5-amino-2-(2,4-difluorophenyl)phenol
CID 171391098

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline?
The IUPAC name of 3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline (CID 131747401) is 3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline is C[Si](C)(C)C#Cc1cc(N)cc(-c2ccc(F)cc2F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline?
The InChIKey is XYMZQXQQCZVAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NSi/c1-21(2,3)7-6-12-8-13(10-15(20)9-12)16-5-4-14(18)11-17(16)19/h4-5,8-11H,20H2,1-3H3.
What are the key properties of 3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline?
3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline has a molecular weight of 301.41 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-(2-trimethylsilylethynyl)aniline is sourced from PubChem (CID 131747401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).