2-bromo-3-(3,5-difluorophenyl)inden-1-one

C15H7BrF2O — CID 123876513

IUPAC2-bromo-3-(3,5-difluorophenyl)inden-1-one
SMILESO=C1C(Br)=C(c2cc(F)cc(F)c2)c2ccccc21
InChIInChI=1S/C15H7BrF2O/c16-14-13(8-5-9(17)7-10(18)6-8)11-3-1-2-4-12(11)15(14)19/h1-7H
InChIKeyGXKHTTPRTFJSKO-UHFFFAOYSA-N
MW321.12 g/mol
LogP4.32
Rot. Bonds1

About 2-bromo-3-(3,5-difluorophenyl)inden-1-one

2-bromo-3-(3,5-difluorophenyl)inden-1-one (PubChem CID 123876513) has the molecular formula C15H7BrF2O and a molecular weight of 321.12 g/mol. Its IUPAC name is 2-bromo-3-(3,5-difluorophenyl)inden-1-one.

Molecular Properties

Compound Name2-bromo-3-(3,5-difluorophenyl)inden-1-one
PubChem CID123876513
Molecular FormulaC15H7BrF2O
Molecular Weight321.12 g/mol
Exact Mass319.96
IUPAC Name2-bromo-3-(3,5-difluorophenyl)inden-1-one
SMILESO=C1C(Br)=C(c2cc(F)cc(F)c2)c2ccccc21
InChIInChI=1S/C15H7BrF2O/c16-14-13(8-5-9(17)7-10(18)6-8)11-3-1-2-4-12(11)15(14)19/h1-7H
InChIKeyGXKHTTPRTFJSKO-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

[2-bromo-1-(3,5-difluorophenyl)-3-oxoinden-5-yl] acetate
CID 70314444
2-(3,5-difluorophenyl)naphthalene-1,4-dione
CID 135012778
2-bromo-3-(4-fluorophenoxy)naphthalene-1,4-dione
CID 50939126
3-bromo-2-phenylazulene-1,5-dione
CID 15195207
2,3-bis(3,4-difluorophenyl)naphthalene-1,4-dione
CID 154722109
(2-bromo-3-oxo-1-phenylinden-5-yl) acetate
CID 70313241
CID 158261979
CID 158261979
1,3-difluoro-5-(2-nitrophenyl)benzene
CID 134598355
2-amino-3-(4-fluorophenyl)naphthalene-1,4-dione
CID 950095
1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione
CID 53392838
2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one
CID 56589911
CID 67824005
CID 67824005

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(3,5-difluorophenyl)inden-1-one?
The IUPAC name of 2-bromo-3-(3,5-difluorophenyl)inden-1-one (CID 123876513) is 2-bromo-3-(3,5-difluorophenyl)inden-1-one.
What is the SMILES notation for 2-bromo-3-(3,5-difluorophenyl)inden-1-one?
The canonical SMILES for 2-bromo-3-(3,5-difluorophenyl)inden-1-one is O=C1C(Br)=C(c2cc(F)cc(F)c2)c2ccccc21.
What is the InChIKey of 2-bromo-3-(3,5-difluorophenyl)inden-1-one?
The InChIKey is GXKHTTPRTFJSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrF2O/c16-14-13(8-5-9(17)7-10(18)6-8)11-3-1-2-4-12(11)15(14)19/h1-7H.
What are the key properties of 2-bromo-3-(3,5-difluorophenyl)inden-1-one?
2-bromo-3-(3,5-difluorophenyl)inden-1-one has a molecular weight of 321.12 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(3,5-difluorophenyl)inden-1-one is sourced from PubChem (CID 123876513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).