3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one

C19H12FNO2 — CID 82046628

IUPAC3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one
SMILESNc1cc(-c2cc(=O)c3c(ccc4ccccc43)o2)ccc1F
InChIInChI=1S/C19H12FNO2/c20-14-7-5-12(9-15(14)21)18-10-16(22)19-13-4-2-1-3-11(13)6-8-17(19)23-18/h1-10H,21H2
InChIKeyPPQXQIUNDSSCAA-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.33
Rot. Bonds1

About 3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one

3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one (PubChem CID 82046628) has the molecular formula C19H12FNO2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one.

Molecular Properties

Compound Name3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one
PubChem CID82046628
Molecular FormulaC19H12FNO2
Molecular Weight305.31 g/mol
Exact Mass305.09
IUPAC Name3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one
SMILESNc1cc(-c2cc(=O)c3c(ccc4ccccc43)o2)ccc1F
InChIInChI=1S/C19H12FNO2/c20-14-7-5-12(9-15(14)21)18-10-16(22)19-13-4-2-1-3-11(13)6-8-17(19)23-18/h1-10H,21H2
InChIKeyPPQXQIUNDSSCAA-UHFFFAOYSA-N
XLogP4.33
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-4-fluorophenyl)-6-nitrochromen-4-one
CID 82046626
3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one
CID 5073343
3-(2,6-dichlorophenyl)benzo[f]chromen-1-one
CID 56833936
2-(3-amino-4-hydroxyphenyl)chromen-4-one
CID 10422373
2-(4-fluoro-3-methoxyphenyl)chromen-4-one
CID 134910411
2-(3,4-dihydroxyphenyl)-5-hydroxybenzo[g]chromen-4-one
CID 135053109
5,7-diamino-2-(4-amino-3-fluorophenyl)-6,8-difluorochromen-4-one
CID 10853185
5-amino-2-(4-amino-3-hydroxyphenyl)chromen-4-one
CID 54435268
6-amino-5-(benzylamino)-2-(4-methoxyphenyl)chromen-4-one
CID 121366119
9-fluorobenzo[a]xanthen-12-one
CID 135193713
4-(3-amino-4-fluorophenyl)-2-methylisoquinolin-1-one
CID 118021689
3-(3-chloro-4-fluorophenyl)isochromen-1-one
CID 57387765

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one?
The IUPAC name of 3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one (CID 82046628) is 3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one.
What is the SMILES notation for 3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one?
The canonical SMILES for 3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one is Nc1cc(-c2cc(=O)c3c(ccc4ccccc43)o2)ccc1F.
What is the InChIKey of 3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one?
The InChIKey is PPQXQIUNDSSCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO2/c20-14-7-5-12(9-15(14)21)18-10-16(22)19-13-4-2-1-3-11(13)6-8-17(19)23-18/h1-10H,21H2.
What are the key properties of 3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one?
3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one has a molecular weight of 305.31 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one is sourced from PubChem (CID 82046628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).