2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone

C12H10FNOS — CID 116601519

IUPAC2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone
SMILESNC(C(=O)c1ccccc1F)c1cccs1
InChIInChI=1S/C12H10FNOS/c13-9-5-2-1-4-8(9)12(15)11(14)10-6-3-7-16-10/h1-7,11H,14H2
InChIKeyJSFKQLDSDIGQLQ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.77
Rot. Bonds3

About 2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone

2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone (PubChem CID 116601519) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone
PubChem CID116601519
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone
SMILESNC(C(=O)c1ccccc1F)c1cccs1
InChIInChI=1S/C12H10FNOS/c13-9-5-2-1-4-8(9)12(15)11(14)10-6-3-7-16-10/h1-7,11H,14H2
InChIKeyJSFKQLDSDIGQLQ-UHFFFAOYSA-N
XLogP2.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone
CID 116601655
2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone
CID 130815604
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
2-amino-N-(4-fluorophenyl)-2-thiophen-2-ylacetamide
CID 115285922
N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide
CID 13075817
2-amino-1-(2-fluorophenyl)-2-methoxyethanone
CID 57287151
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
1-amino-1-thiophen-2-ylpent-4-en-2-one
CID 116601434

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone (CID 116601519) is 2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone is NC(C(=O)c1ccccc1F)c1cccs1.
What is the InChIKey of 2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone?
The InChIKey is JSFKQLDSDIGQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c13-9-5-2-1-4-8(9)12(15)11(14)10-6-3-7-16-10/h1-7,11H,14H2.
What are the key properties of 2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone?
2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone has a molecular weight of 235.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 116601519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).