2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride

C14H12ClF2NOS — CID 117048928

IUPAC2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1c(N)ccc(F)c1F
InChIInChI=1S/C14H12ClF2NOS/c1-14(13(15)19,7-8-3-2-6-20-8)11-10(18)5-4-9(16)12(11)17/h2-6H,7,18H2,1H3
InChIKeyMUMRCEXJSBAYNM-UHFFFAOYSA-N
MW315.77 g/mol
LogP3.87
Rot. Bonds4

About 2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride

2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (PubChem CID 117048928) has the molecular formula C14H12ClF2NOS and a molecular weight of 315.77 g/mol. Its IUPAC name is 2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.

Molecular Properties

Compound Name2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
PubChem CID117048928
Molecular FormulaC14H12ClF2NOS
Molecular Weight315.77 g/mol
Exact Mass315.03
IUPAC Name2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1c(N)ccc(F)c1F
InChIInChI=1S/C14H12ClF2NOS/c1-14(13(15)19,7-8-3-2-6-20-8)11-10(18)5-4-9(16)12(11)17/h2-6H,7,18H2,1H3
InChIKeyMUMRCEXJSBAYNM-UHFFFAOYSA-N
XLogP3.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.77
LogP ≤ 53.87
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-2,6-difluorophenyl)-(3-methylthiophen-2-yl)methanone
CID 79769272
(3-Amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531689
2-(6-Amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoic acid
CID 117048758
2-(2-Amino-5-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048926
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
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
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-(4-Aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048932
2-(3-Aminophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
CID 117048934

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The IUPAC name of 2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (CID 117048928) is 2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.
What is the SMILES notation for 2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The canonical SMILES for 2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is CC(Cc1cccs1)(C(=O)Cl)c1c(N)ccc(F)c1F.
What is the InChIKey of 2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The InChIKey is MUMRCEXJSBAYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NOS/c1-14(13(15)19,7-8-3-2-6-20-8)11-10(18)5-4-9(16)12(11)17/h2-6H,7,18H2,1H3.
What are the key properties of 2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride has a molecular weight of 315.77 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2,3-difluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is sourced from PubChem (CID 117048928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).