8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one

C15H11ClFNO2 — CID 82046372

IUPAC8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one
SMILESNc1cc(F)cc2c1OC(c1cccc(Cl)c1)CC2=O
InChIInChI=1S/C15H11ClFNO2/c16-9-3-1-2-8(4-9)14-7-13(19)11-5-10(17)6-12(18)15(11)20-14/h1-6,14H,7,18H2
InChIKeyKXQXJVSOJLGRNL-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.77
Rot. Bonds1

About 8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one

8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one (PubChem CID 82046372) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is 8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one
PubChem CID82046372
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one
SMILESNc1cc(F)cc2c1OC(c1cccc(Cl)c1)CC2=O
InChIInChI=1S/C15H11ClFNO2/c16-9-3-1-2-8(4-9)14-7-13(19)11-5-10(17)6-12(18)15(11)20-14/h1-6,14H,7,18H2
InChIKeyKXQXJVSOJLGRNL-UHFFFAOYSA-N
XLogP3.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.77
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 8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one?
The IUPAC name of 8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one (CID 82046372) is 8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one is Nc1cc(F)cc2c1OC(c1cccc(Cl)c1)CC2=O.
What is the InChIKey of 8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one?
The InChIKey is KXQXJVSOJLGRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c16-9-3-1-2-8(4-9)14-7-13(19)11-5-10(17)6-12(18)15(11)20-14/h1-6,14H,7,18H2.
What are the key properties of 8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one?
8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one has a molecular weight of 291.71 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(3-chlorophenyl)-6-fluoro-2,3-dihydrochromen-4-one is sourced from PubChem (CID 82046372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).