2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one

C17H12F2O2 — CID 71465690

IUPAC2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one
SMILESCCc1oc2cccc(F)c2c(=O)c1-c1ccc(F)cc1
InChIInChI=1S/C17H12F2O2/c1-2-13-15(10-6-8-11(18)9-7-10)17(20)16-12(19)4-3-5-14(16)21-13/h3-9H,2H2,1H3
InChIKeyBAUWJKXLWNAMBY-UHFFFAOYSA-N
MW286.28 g/mol
LogP4.30
Rot. Bonds2

About 2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one

2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one (PubChem CID 71465690) has the molecular formula C17H12F2O2 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one.

Molecular Properties

Compound Name2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one
PubChem CID71465690
Molecular FormulaC17H12F2O2
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one
SMILESCCc1oc2cccc(F)c2c(=O)c1-c1ccc(F)cc1
InChIInChI=1S/C17H12F2O2/c1-2-13-15(10-6-8-11(18)9-7-10)17(20)16-12(19)4-3-5-14(16)21-13/h3-9H,2H2,1H3
InChIKeyBAUWJKXLWNAMBY-UHFFFAOYSA-N
XLogP4.30
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one?
The IUPAC name of 2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one (CID 71465690) is 2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one.
What is the SMILES notation for 2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one?
The canonical SMILES for 2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one is CCc1oc2cccc(F)c2c(=O)c1-c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one?
The InChIKey is BAUWJKXLWNAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2O2/c1-2-13-15(10-6-8-11(18)9-7-10)17(20)16-12(19)4-3-5-14(16)21-13/h3-9H,2H2,1H3.
What are the key properties of 2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one?
2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one has a molecular weight of 286.28 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one is sourced from PubChem (CID 71465690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).