2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline

C11H13FN2O2Si — CID 154776252

IUPAC2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline
SMILESC[Si](C)(C)C#Cc1cc([N+](=O)[O-])cc(F)c1N
InChIInChI=1S/C11H13FN2O2Si/c1-17(2,3)5-4-8-6-9(14(15)16)7-10(12)11(8)13/h6-7H,13H2,1-3H3
InChIKeyYATNZCLNXYRLCZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.55
Rot. Bonds1

About 2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline

2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline (PubChem CID 154776252) has the molecular formula C11H13FN2O2Si and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline
PubChem CID154776252
Molecular FormulaC11H13FN2O2Si
Molecular Weight252.32 g/mol
Exact Mass252.07
IUPAC Name2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline
SMILESC[Si](C)(C)C#Cc1cc([N+](=O)[O-])cc(F)c1N
InChIInChI=1S/C11H13FN2O2Si/c1-17(2,3)5-4-8-6-9(14(15)16)7-10(12)11(8)13/h6-7H,13H2,1-3H3
InChIKeyYATNZCLNXYRLCZ-UHFFFAOYSA-N
XLogP2.55
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane
CID 142387759
5-methyl-4-nitro-2-(2-trimethylsilylethynyl)aniline
CID 59276817
2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 102134851
1,2-dibromo-3-fluoro-5-nitrobenzene
CID 118841496
1,3-difluoro-2-methoxy-5-nitrobenzene
CID 605060
4-fluoro-6-nitro-1-benzothiophen-2-amine
CID 131014714
1,3-difluoro-5-nitro-2-(trifluoromethyl)benzene
CID 57432868
2-fluoro-3-methyl-5-nitroaniline
CID 130935349
4-(2-amino-3-fluoro-5-nitrophenyl)but-3-ene-1-thiol
CID 170478924
2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 62151022
2,6-difluoro-3-(4-nitrophenyl)aniline
CID 165455095
3-chloro-4,5-difluoroaniline;1-chloro-2,3-difluoro-5-nitrobenzene
CID 159546994

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline?
The IUPAC name of 2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline (CID 154776252) is 2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline.
What is the SMILES notation for 2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline?
The canonical SMILES for 2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline is C[Si](C)(C)C#Cc1cc([N+](=O)[O-])cc(F)c1N.
What is the InChIKey of 2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline?
The InChIKey is YATNZCLNXYRLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2Si/c1-17(2,3)5-4-8-6-9(14(15)16)7-10(12)11(8)13/h6-7H,13H2,1-3H3.
What are the key properties of 2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline?
2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline has a molecular weight of 252.32 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline is sourced from PubChem (CID 154776252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).