2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride

C14H13ClFNOS — CID 117048930

IUPAC2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1ccc(N)cc1F
InChIInChI=1S/C14H13ClFNOS/c1-14(13(15)18,8-10-3-2-6-19-10)11-5-4-9(17)7-12(11)16/h2-7H,8,17H2,1H3
InChIKeyKDPKHCVZLQWLRY-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.74
Rot. Bonds4

About 2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride

2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (PubChem CID 117048930) has the molecular formula C14H13ClFNOS and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
PubChem CID117048930
Molecular FormulaC14H13ClFNOS
Molecular Weight297.78 g/mol
Exact Mass297.04
IUPAC Name2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride
SMILESCC(Cc1cccs1)(C(=O)Cl)c1ccc(N)cc1F
InChIInChI=1S/C14H13ClFNOS/c1-14(13(15)18,8-10-3-2-6-19-10)11-5-4-9(17)7-12(11)16/h2-7H,8,17H2,1H3
InChIKeyKDPKHCVZLQWLRY-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

(4-Amino-3-fluorophenyl)-(3-methylthiophen-2-yl)methanone
CID 64194980
(4-Amino-2-fluorophenyl)-(3-methylthiophen-2-yl)methanone
CID 64435099
(4-Amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone
CID 79974981
(4-Amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531511
(4-Amino-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531512
(4-Amino-3-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanone
CID 81634070
(4-Amino-2-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanone
CID 81634238
(4-Amino-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765168
(4-Amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765207
(4-Amino-3-fluorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102839265
(4-Amino-3-fluorophenyl)-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103406310
(4-Amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone
CID 116547332

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The IUPAC name of 2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride (CID 117048930) is 2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is CC(Cc1cccs1)(C(=O)Cl)c1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
The InChIKey is KDPKHCVZLQWLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNOS/c1-14(13(15)18,8-10-3-2-6-19-10)11-5-4-9(17)7-12(11)16/h2-7H,8,17H2,1H3.
What are the key properties of 2-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride?
2-(4-amino-2-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-(4-amino-2-fluorophenyl)-2-methyl-3-thiophen-2-ylpropanoyl chloride is sourced from PubChem (CID 117048930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).