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

C17H13F3N2O3 — CID 10521804

IUPAC5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one
SMILESCOCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F
InChIInChI=1S/C17H13F3N2O3/c1-24-6-8-14(19)16(22)13-11(23)5-12(25-17(13)15(8)20)7-2-3-10(21)9(18)4-7/h2-5H,6,21-22H2,1H3
InChIKeyCAKFOQCLJYYYFN-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.19
Rot. Bonds3

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

5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one (PubChem CID 10521804) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one
PubChem CID10521804
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one
SMILESCOCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F
InChIInChI=1S/C17H13F3N2O3/c1-24-6-8-14(19)16(22)13-11(23)5-12(25-17(13)15(8)20)7-2-3-10(21)9(18)4-7/h2-5H,6,21-22H2,1H3
InChIKeyCAKFOQCLJYYYFN-UHFFFAOYSA-N
XLogP3.19
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-7-dimethylaminoacetoxymethyl-6,8-difluoro-4H-1-benzopyran-4-one
CID 10093635
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 10267124
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-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
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
5-Amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one
CID 10592039
5-Amino-2-(4-aminophenyl)-6-fluorochromen-4-one
CID 10683448

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one?
The IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one (CID 10521804) is 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one.
What is the SMILES notation for 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one?
The canonical SMILES for 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one is COCc1c(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-(methoxymethyl)chromen-4-one?
The InChIKey is CAKFOQCLJYYYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-24-6-8-14(19)16(22)13-11(23)5-12(25-17(13)15(8)20)7-2-3-10(21)9(18)4-7/h2-5H,6,21-22H2,1H3.
What are the key properties of 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one?
5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one has a molecular weight of 350.30 g/mol, XLogP of 3.19, 3 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-(methoxymethyl)chromen-4-one is sourced from PubChem (CID 10521804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).