2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one

C15H8F3NO2 — CID 22645699

IUPAC2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one
SMILESNc1ccc(-c2oc3ccccc3c(=O)c2F)c(F)c1F
InChIInChI=1S/C15H8F3NO2/c16-11-8(5-6-9(19)12(11)17)15-13(18)14(20)7-3-1-2-4-10(7)21-15/h1-6H,19H2
InChIKeyOWJRCKZRZPLLPT-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.46
Rot. Bonds1

About 2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one

2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one (PubChem CID 22645699) has the molecular formula C15H8F3NO2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one.

Molecular Properties

Compound Name2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one
PubChem CID22645699
Molecular FormulaC15H8F3NO2
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one
SMILESNc1ccc(-c2oc3ccccc3c(=O)c2F)c(F)c1F
InChIInChI=1S/C15H8F3NO2/c16-11-8(5-6-9(19)12(11)17)15-13(18)14(20)7-3-1-2-4-10(7)21-15/h1-6H,19H2
InChIKeyOWJRCKZRZPLLPT-UHFFFAOYSA-N
XLogP3.46
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one
CID 389710
3-(3-aminophenyl)-2H-chromen-2-one
CID 720985
2-(4-Nitrophenyl)-4H-chromen-4-one
CID 622510
3-(4-aminophenyl)-2H-chromen-2-one
CID 310860
2-[4-(Dimethylamino)phenyl]-4h-Chromen-4-One
CID 1241435
6-Iodo-4'-dimethyaminoflavone
CID 11574659
6-Iodo-4'-methylaminoflavone
CID 11632242
6-Fluoro-2-(3-nitrophenyl)chromen-4-one
CID 21239768
2,7-diamino-9H-xanthen-9-one
CID 2770072
6-Aminoflavone
CID 16217320
2-(4-Amino-phenyl)-benzo[h]chromen-4-one
CID 11471732
4'-Amino-6-hydroxyflavone
CID 125519

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one?
The IUPAC name of 2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one (CID 22645699) is 2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one.
What is the SMILES notation for 2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one?
The canonical SMILES for 2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one is Nc1ccc(-c2oc3ccccc3c(=O)c2F)c(F)c1F.
What is the InChIKey of 2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one?
The InChIKey is OWJRCKZRZPLLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO2/c16-11-8(5-6-9(19)12(11)17)15-13(18)14(20)7-3-1-2-4-10(7)21-15/h1-6H,19H2.
What are the key properties of 2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one?
2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one has a molecular weight of 291.23 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,3-difluorophenyl)-3-fluorochromen-4-one is sourced from PubChem (CID 22645699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).