2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride

C14H13ClFNOS — CID 117048926

IUPAC2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1cc(F)ccc1N
InChIInChI=1S/C14H13ClFNOS/c1-14(13(15)18,8-10-3-2-6-19-10)11-7-9(16)4-5-12(11)17/h2-7H,8,17H2,1H3
InChIKeyDIAVAIBHIBEYBW-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.74
Rot. Bonds4

About 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride

2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (PubChem CID 117048926) has the molecular formula C14H13ClFNOS and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
PubChem CID117048926
Molecular FormulaC14H13ClFNOS
Molecular Weight297.78 g/mol
Exact Mass297.04
IUPAC Name2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1cc(F)ccc1N
InChIInChI=1S/C14H13ClFNOS/c1-14(13(15)18,8-10-3-2-6-19-10)11-7-9(16)4-5-12(11)17/h2-7H,8,17H2,1H3
InChIKeyDIAVAIBHIBEYBW-UHFFFAOYSA-N
XLogP3.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-Amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531689
2-(6-Amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048928
2-(4-Amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048930
2-(3-Chloro-4-fluorophenyl)aniline;3-methylthiophene-2-carbonyl chloride
CID 142822018
2-(4-Aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one
CID 107361524
3-(4-Aminophenyl)-3-methyl-1-thiophen-2-ylbutan-2-one
CID 113541613
3-(4-Aminophenyl)-1-(5-chlorothiophen-2-yl)-3-methylbutan-2-one
CID 113541623
4-(4-Aminophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one
CID 113541624
4-(4-Aminophenyl)-4-methyl-1-thiophen-2-ylpentan-3-one
CID 116598747
3-(4-Aminophenyl)-3-methyl-1-thiophen-3-ylbutan-2-one
CID 116598796
2-(2-Aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048927
2-Methyl-2-(4-nitrophenyl)-3-thiophen-2-ylpropanoyl chloride
CID 117048931

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The IUPAC name of 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (CID 117048926) is 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is CC(Cc1cccs1)(C(=O)Cl)c1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The InChIKey is DIAVAIBHIBEYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNOS/c1-14(13(15)18,8-10-3-2-6-19-10)11-7-9(16)4-5-12(11)17/h2-7H,8,17H2,1H3.
What are the key properties of 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride has a molecular weight of 297.78 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is sourced from PubChem (CID 117048926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).