5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one

C16H11F3N2O3 — CID 10497067

IUPAC5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one
SMILESCOc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F
InChIInChI=1S/C16H11F3N2O3/c1-23-16-12(18)14(21)11-9(22)5-10(24-15(11)13(16)19)6-2-3-8(20)7(17)4-6/h2-5H,20-21H2,1H3
InChIKeyFFVSQFTYPNKKQL-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.05
Rot. Bonds2

About 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one

5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one (PubChem CID 10497067) has the molecular formula C16H11F3N2O3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one
PubChem CID10497067
Molecular FormulaC16H11F3N2O3
Molecular Weight336.27 g/mol
Exact Mass336.07
IUPAC Name5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one
SMILESCOc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F
InChIInChI=1S/C16H11F3N2O3/c1-23-16-12(18)14(21)11-9(22)5-10(24-15(11)13(16)19)6-2-3-8(20)7(17)4-6/h2-5H,20-21H2,1H3
InChIKeyFFVSQFTYPNKKQL-UHFFFAOYSA-N
XLogP3.05
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.05
H-Bond Donors ≤ 52
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-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one?
The IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one (CID 10497067) is 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one.
What is the SMILES notation for 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one?
The canonical SMILES for 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one is COc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F.
What is the InChIKey of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one?
The InChIKey is FFVSQFTYPNKKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3/c1-23-16-12(18)14(21)11-9(22)5-10(24-15(11)13(16)19)6-2-3-8(20)7(17)4-6/h2-5H,20-21H2,1H3.
What are the key properties of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one?
5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one has a molecular weight of 336.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methoxychromen-4-one is sourced from PubChem (CID 10497067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).