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

C17H13F3N2O2 — CID 10854145

IUPAC5-amino-2-(4-amino-3-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one
SMILESCCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F
InChIInChI=1S/C17H13F3N2O2/c1-2-8-14(19)16(22)13-11(23)6-12(24-17(13)15(8)20)7-3-4-10(21)9(18)5-7/h3-6H,2,21-22H2,1H3
InChIKeyFEKDESZBFVYOOA-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.60
Rot. Bonds2

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

5-amino-2-(4-amino-3-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one (PubChem CID 10854145) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-amino-3-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one
PubChem CID10854145
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name5-amino-2-(4-amino-3-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one
SMILESCCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F
InChIInChI=1S/C17H13F3N2O2/c1-2-8-14(19)16(22)13-11(23)6-12(24-17(13)15(8)20)7-3-4-10(21)9(18)5-7/h3-6H,2,21-22H2,1H3
InChIKeyFEKDESZBFVYOOA-UHFFFAOYSA-N
XLogP3.60
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.60
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)-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-(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-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-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one?
The IUPAC name of 5-amino-2-(4-amino-3-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one (CID 10854145) is 5-amino-2-(4-amino-3-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one.
What is the SMILES notation for 5-amino-2-(4-amino-3-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one?
The canonical SMILES for 5-amino-2-(4-amino-3-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one is CCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F.
What is the InChIKey of 5-amino-2-(4-amino-3-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one?
The InChIKey is FEKDESZBFVYOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-2-8-14(19)16(22)13-11(23)6-12(24-17(13)15(8)20)7-3-4-10(21)9(18)5-7/h3-6H,2,21-22H2,1H3.
What are the key properties of 5-amino-2-(4-amino-3-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one?
5-amino-2-(4-amino-3-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one has a molecular weight of 334.30 g/mol, XLogP of 3.60, 2 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-fluorophenyl)-7-ethyl-6,8-difluorochromen-4-one is sourced from PubChem (CID 10854145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).