5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one

C15H8F4N2O2 — CID 10592039

IUPAC5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one
SMILESNc1c(F)cc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F
InChIInChI=1S/C15H8F4N2O2/c16-6-1-5(2-7(17)13(6)20)11-4-10(22)12-14(21)8(18)3-9(19)15(12)23-11/h1-4H,20-21H2
InChIKeyVOKWXDSKLLXMRP-UHFFFAOYSA-N
MW324.23 g/mol
LogP3.18
Rot. Bonds1

About 5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one

5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one (PubChem CID 10592039) has the molecular formula C15H8F4N2O2 and a molecular weight of 324.23 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one
PubChem CID10592039
Molecular FormulaC15H8F4N2O2
Molecular Weight324.23 g/mol
Exact Mass324.05
IUPAC Name5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one
SMILESNc1c(F)cc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F
InChIInChI=1S/C15H8F4N2O2/c16-6-1-5(2-7(17)13(6)20)11-4-10(22)12-14(21)8(18)3-9(19)15(12)23-11/h1-4H,20-21H2
InChIKeyVOKWXDSKLLXMRP-UHFFFAOYSA-N
XLogP3.18
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
5-Amino-2-(4-aminophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 9817398
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 10267124
5-Amino-2-[4-(methylamino)phenyl]chromen-4-one
CID 10333138
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(1-hexanoyloxymethyl)-4H-1-benzopyran-4-one
CID 10365608
5-Amino-2-(4-aminophenyl)chromen-4-one
CID 10422310
5-Amino-2-(4-bromophenyl)chromen-4-one
CID 10495586
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one
CID 10497067
5-Amino-2-(4-amino-3-fluorophenyl)-7-azido-6,8-difluorochromen-4-one
CID 10497825
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one
CID 10521804
7-Acetoxymethyl-5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 10523682
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(1-propanoyloxymethyl)-4H-1-benzopyran-4-one
CID 10548515

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one?
The IUPAC name of 5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one (CID 10592039) is 5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one.
What is the SMILES notation for 5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one?
The canonical SMILES for 5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one is Nc1c(F)cc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F.
What is the InChIKey of 5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one?
The InChIKey is VOKWXDSKLLXMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O2/c16-6-1-5(2-7(17)13(6)20)11-4-10(22)12-14(21)8(18)3-9(19)15(12)23-11/h1-4H,20-21H2.
What are the key properties of 5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one?
5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one has a molecular weight of 324.23 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one is sourced from PubChem (CID 10592039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).