2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one

C15H9BrF2O2 — CID 114674698

IUPAC2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(Br)c(F)c2)Oc2cc(F)ccc21
InChIInChI=1S/C15H9BrF2O2/c16-11-4-1-8(5-12(11)18)14-7-13(19)10-3-2-9(17)6-15(10)20-14/h1-6,14H,7H2
InChIKeyHGIMSZAHENZSRI-UHFFFAOYSA-N
MW339.14 g/mol
LogP4.43
Rot. Bonds1

About 2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one

2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one (PubChem CID 114674698) has the molecular formula C15H9BrF2O2 and a molecular weight of 339.14 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
PubChem CID114674698
Molecular FormulaC15H9BrF2O2
Molecular Weight339.14 g/mol
Exact Mass337.98
IUPAC Name2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(Br)c(F)c2)Oc2cc(F)ccc21
InChIInChI=1S/C15H9BrF2O2/c16-11-4-1-8(5-12(11)18)14-7-13(19)10-3-2-9(17)6-15(10)20-14/h1-6,14H,7H2
InChIKeyHGIMSZAHENZSRI-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114673233
2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674557
7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674580
2-(3,5-dichlorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674547
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
7-bromo-2-(2,4-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114673069
2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674866
7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114674776
2-(2-bromo-4-methylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674816
2-bromo-7-fluoro-2,3-dihydrochromen-4-one
CID 172550133
7-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674787
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one (CID 114674698) is 2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one is O=C1CC(c2ccc(Br)c(F)c2)Oc2cc(F)ccc21.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one?
The InChIKey is HGIMSZAHENZSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2O2/c16-11-4-1-8(5-12(11)18)14-7-13(19)10-3-2-9(17)6-15(10)20-14/h1-6,14H,7H2.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one?
2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one has a molecular weight of 339.14 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114674698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).