1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone

C12H9ClFNOS — CID 58295450

IUPAC1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(Cl)c(F)c2)csc1N
InChIInChI=1S/C12H9ClFNOS/c1-6(16)11-8(5-17-12(11)15)7-2-3-9(13)10(14)4-7/h2-5H,15H2,1H3
InChIKeyZKBVVIGEUDAAPH-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.99
Rot. Bonds2

About 1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone

1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone (PubChem CID 58295450) has the molecular formula C12H9ClFNOS and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone
PubChem CID58295450
Molecular FormulaC12H9ClFNOS
Molecular Weight269.73 g/mol
Exact Mass269.01
IUPAC Name1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(Cl)c(F)c2)csc1N
InChIInChI=1S/C12H9ClFNOS/c1-6(16)11-8(5-17-12(11)15)7-2-3-9(13)10(14)4-7/h2-5H,15H2,1H3
InChIKeyZKBVVIGEUDAAPH-UHFFFAOYSA-N
XLogP3.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone?
The IUPAC name of 1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone (CID 58295450) is 1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone?
The canonical SMILES for 1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone is CC(=O)c1c(-c2ccc(Cl)c(F)c2)csc1N.
What is the InChIKey of 1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone?
The InChIKey is ZKBVVIGEUDAAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS/c1-6(16)11-8(5-17-12(11)15)7-2-3-9(13)10(14)4-7/h2-5H,15H2,1H3.
What are the key properties of 1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone?
1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone has a molecular weight of 269.73 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(4-chloro-3-fluorophenyl)thiophen-3-yl]ethanone is sourced from PubChem (CID 58295450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).