5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one

C15H10F3N3O2 — CID 10853185

IUPAC5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)c(F)c(N)c(F)c3o2)cc1F
InChIInChI=1S/C15H10F3N3O2/c16-6-3-5(1-2-7(6)19)9-4-8(22)10-13(20)11(17)14(21)12(18)15(10)23-9/h1-4H,19-21H2
InChIKeyOGNVTJFDXCPTEJ-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.62
Rot. Bonds1

About 5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one

5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one (PubChem CID 10853185) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one.

Molecular Properties

Compound Name5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one
PubChem CID10853185
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)c(F)c(N)c(F)c3o2)cc1F
InChIInChI=1S/C15H10F3N3O2/c16-6-3-5(1-2-7(6)19)9-4-8(22)10-13(20)11(17)14(21)12(18)15(10)23-9/h1-4H,19-21H2
InChIKeyOGNVTJFDXCPTEJ-UHFFFAOYSA-N
XLogP2.62
TPSA108.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one?
The IUPAC name of 5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one (CID 10853185) is 5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one.
What is the SMILES notation for 5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one?
The canonical SMILES for 5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one is Nc1ccc(-c2cc(=O)c3c(N)c(F)c(N)c(F)c3o2)cc1F.
What is the InChIKey of 5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one?
The InChIKey is OGNVTJFDXCPTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-6-3-5(1-2-7(6)19)9-4-8(22)10-13(20)11(17)14(21)12(18)15(10)23-9/h1-4H,19-21H2.
What are the key properties of 5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one?
5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one has a molecular weight of 321.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one is sourced from PubChem (CID 10853185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).