7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one

C15H9BrF2O2 — CID 114673233

IUPAC7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(F)c(F)c2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H9BrF2O2/c16-9-2-3-10-13(19)7-14(20-15(10)6-9)8-1-4-11(17)12(18)5-8/h1-6,14H,7H2
InChIKeyGZXAUTYIURXYIU-UHFFFAOYSA-N
MW339.14 g/mol
LogP4.43
Rot. Bonds1

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

7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one (PubChem CID 114673233) has the molecular formula C15H9BrF2O2 and a molecular weight of 339.14 g/mol. Its IUPAC name is 7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one
PubChem CID114673233
Molecular FormulaC15H9BrF2O2
Molecular Weight339.14 g/mol
Exact Mass337.98
IUPAC Name7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(F)c(F)c2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H9BrF2O2/c16-9-2-3-10-13(19)7-14(20-15(10)6-9)8-1-4-11(17)12(18)5-8/h1-6,14H,7H2
InChIKeyGZXAUTYIURXYIU-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

2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674698
6-bromo-2-(3,4,5-trifluorophenyl)-2,3-dihydrochromen-4-one
CID 114674398
7-bromo-2-(4-propan-2-ylphenyl)-2,3-dihydrochromen-4-one
CID 114673396
7-bromo-2-(2,4-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114673069
7-bromo-2-(4-ethylphenyl)-2,3-dihydrochromen-4-one
CID 114673270
7-bromo-2-thiophen-3-yl-2,3-dihydrochromen-4-one
CID 114673268
7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114673081
7-bromo-2-(2,6-dimethylphenyl)-2,3-dihydrochromen-4-one
CID 114673148
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114674428
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one (CID 114673233) is 7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2ccc(F)c(F)c2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is GZXAUTYIURXYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2O2/c16-9-2-3-10-13(19)7-14(20-15(10)6-9)8-1-4-11(17)12(18)5-8/h1-6,14H,7H2.
What are the key properties of 7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one?
7-bromo-2-(3,4-difluorophenyl)-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 7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114673233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).