(2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene

C9H6BrF2NO2 — CID 125485498

IUPAC(2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene
SMILESO=[N+]([O-])c1cccc2c1C[C@@H](Br)C2(F)F
InChIInChI=1S/C9H6BrF2NO2/c10-8-4-5-6(9(8,11)12)2-1-3-7(5)13(14)15/h1-3,8H,4H2/t8-/m1/s1
InChIKeyRQPIGRZMNSYJLG-MRVPVSSYSA-N
MW278.05 g/mol
LogP3.01
Rot. Bonds1

About (2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene

(2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene (PubChem CID 125485498) has the molecular formula C9H6BrF2NO2 and a molecular weight of 278.05 g/mol. Its IUPAC name is (2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene.

Molecular Properties

Compound Name(2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene
PubChem CID125485498
Molecular FormulaC9H6BrF2NO2
Molecular Weight278.05 g/mol
Exact Mass276.95
IUPAC Name(2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene
SMILESO=[N+]([O-])c1cccc2c1C[C@@H](Br)C2(F)F
InChIInChI=1S/C9H6BrF2NO2/c10-8-4-5-6(9(8,11)12)2-1-3-7(5)13(14)15/h1-3,8H,4H2/t8-/m1/s1
InChIKeyRQPIGRZMNSYJLG-MRVPVSSYSA-N
XLogP3.01
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1,1-difluoroindene;2,7-dibromo-3,3-difluoro-1,2-dihydroindene
CID 158107817
2-cyclopropyl-1,3-dinitrobenzene
CID 5122445
2-hydroxy-4-nitro-2,3-dihydroinden-1-one
CID 154380962
2-(bromomethyl)-1,3-dinitrobenzene
CID 10848958
3-methyl-5-nitro-3,4-dihydro-2H-naphthalen-1-one
CID 22719036
1-(2-nitrophenyl)cyclopropan-1-amine
CID 55253196
4',4'-difluoro-7-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 106702116
(3S)-7-nitrospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 164939916
[(2R)-4-nitro-2,3-dihydro-1H-inden-2-yl]methanesulfonamide
CID 97169062
6-nitro-1,5-dihydro-2,4-benzodioxepin-3-one
CID 170549355
2-bromo-7-nitro-2,3-dihydro-1H-indole
CID 18519584
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene?
The IUPAC name of (2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene (CID 125485498) is (2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene.
What is the SMILES notation for (2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene?
The canonical SMILES for (2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene is O=[N+]([O-])c1cccc2c1C[C@@H](Br)C2(F)F.
What is the InChIKey of (2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene?
The InChIKey is RQPIGRZMNSYJLG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H6BrF2NO2/c10-8-4-5-6(9(8,11)12)2-1-3-7(5)13(14)15/h1-3,8H,4H2/t8-/m1/s1.
What are the key properties of (2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene?
(2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene has a molecular weight of 278.05 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene is sourced from PubChem (CID 125485498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).