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

C11H7ClFNOS — CID 80531511

IUPAC(4-amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone
SMILESNc1ccc(C(=O)c2sccc2Cl)c(F)c1
InChIInChI=1S/C11H7ClFNOS/c12-8-3-4-16-11(8)10(15)7-2-1-6(14)5-9(7)13/h1-5H,14H2
InChIKeyJSYNPZDBNQXDGS-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.35
Rot. Bonds2

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

(4-amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 80531511) has the molecular formula C11H7ClFNOS and a molecular weight of 255.70 g/mol. Its IUPAC name is (4-amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone
PubChem CID80531511
Molecular FormulaC11H7ClFNOS
Molecular Weight255.70 g/mol
Exact Mass254.99
IUPAC Name(4-amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone
SMILESNc1ccc(C(=O)c2sccc2Cl)c(F)c1
InChIInChI=1S/C11H7ClFNOS/c12-8-3-4-16-11(8)10(15)7-2-1-6(14)5-9(7)13/h1-5H,14H2
InChIKeyJSYNPZDBNQXDGS-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.35
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-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (4-amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone (CID 80531511) is (4-amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (4-amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone is Nc1ccc(C(=O)c2sccc2Cl)c(F)c1.
What is the InChIKey of (4-amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is JSYNPZDBNQXDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNOS/c12-8-3-4-16-11(8)10(15)7-2-1-6(14)5-9(7)13/h1-5H,14H2.
What are the key properties of (4-amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone?
(4-amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 255.70 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 80531511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).