(4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone

C13H12FNOS — CID 79974981

IUPAC(4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H12FNOS/c1-2-8-5-6-17-13(8)12(16)9-3-4-11(15)10(14)7-9/h3-7H,2,15H2,1H3
InChIKeyWNNSCYIZCLBUDY-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.26
Rot. Bonds3

About (4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone

(4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone (PubChem CID 79974981) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone
PubChem CID79974981
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name(4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H12FNOS/c1-2-8-5-6-17-13(8)12(16)9-3-4-11(15)10(14)7-9/h3-7H,2,15H2,1H3
InChIKeyWNNSCYIZCLBUDY-UHFFFAOYSA-N
XLogP3.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone (CID 79974981) is (4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone is CCc1ccsc1C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of (4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone?
The InChIKey is WNNSCYIZCLBUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c1-2-8-5-6-17-13(8)12(16)9-3-4-11(15)10(14)7-9/h3-7H,2,15H2,1H3.
What are the key properties of (4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone?
(4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(3-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 79974981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).