3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline

C12H16FNSi — CID 125490934

IUPAC3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline
SMILESCc1cc(N)c(C#C[Si](C)(C)C)c(F)c1
InChIInChI=1S/C12H16FNSi/c1-9-7-11(13)10(12(14)8-9)5-6-15(2,3)4/h7-8H,14H2,1-4H3
InChIKeyWSKRRXJCNGHWFR-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.95
Rot. Bonds

About 3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline

3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline (PubChem CID 125490934) has the molecular formula C12H16FNSi and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline
PubChem CID125490934
Molecular FormulaC12H16FNSi
Molecular Weight221.35 g/mol
Exact Mass221.10
IUPAC Name3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline
SMILESCc1cc(N)c(C#C[Si](C)(C)C)c(F)c1
InChIInChI=1S/C12H16FNSi/c1-9-7-11(13)10(12(14)8-9)5-6-15(2,3)4/h7-8H,14H2,1-4H3
InChIKeyWSKRRXJCNGHWFR-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.95
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

3-fluoro-2,5-dimethylaniline
CID 55289526
trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
CID 145191695
3-bromo-4-chloro-6-fluoro-2-(2-trimethylsilylethynyl)aniline
CID 171810662
2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 102134851
2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline
CID 10752383
2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane
CID 141294986
2-[3-amino-7-fluoro-6-(2-trimethylsilylethynyl)quinolin-2-yl]propan-2-ol
CID 178068396
3-methyl-5-(2-trimethylsilylethynyl)phenol
CID 132839021
2-ethynyl-1-fluoro-3,5-dimethylbenzene
CID 106882406
5-chloro-6-fluoro-3-(2-trimethylsilylethynyl)pyridin-2-amine
CID 156715435
2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline
CID 154776252
2-[2-[3,5-difluoro-4-[2-(3,4,5-trimethylphenyl)ethynyl]phenyl]ethynyl]-1,3-difluoro-5-methylbenzene
CID 21359869

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline?
The IUPAC name of 3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline (CID 125490934) is 3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline.
What is the SMILES notation for 3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline?
The canonical SMILES for 3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline is Cc1cc(N)c(C#C[Si](C)(C)C)c(F)c1.
What is the InChIKey of 3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline?
The InChIKey is WSKRRXJCNGHWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNSi/c1-9-7-11(13)10(12(14)8-9)5-6-15(2,3)4/h7-8H,14H2,1-4H3.
What are the key properties of 3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline?
3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline has a molecular weight of 221.35 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-2-(2-trimethylsilylethynyl)aniline is sourced from PubChem (CID 125490934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).