(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one

C9H6BrFO — CID 86313607

IUPAC(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one
SMILESO=C1c2ccc(F)cc2C[C@H]1Br
InChIInChI=1S/C9H6BrFO/c10-8-4-5-3-6(11)1-2-7(5)9(8)12/h1-3,8H,4H2/t8-/m1/s1
InChIKeyZMHPIXWPOUTWTA-MRVPVSSYSA-N
MW229.05 g/mol
LogP2.33
Rot. Bonds

About (2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one

(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one (PubChem CID 86313607) has the molecular formula C9H6BrFO and a molecular weight of 229.05 g/mol. Its IUPAC name is (2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one
PubChem CID86313607
Molecular FormulaC9H6BrFO
Molecular Weight229.05 g/mol
Exact Mass227.96
IUPAC Name(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one
SMILESO=C1c2ccc(F)cc2C[C@H]1Br
InChIInChI=1S/C9H6BrFO/c10-8-4-5-3-6(11)1-2-7(5)9(8)12/h1-3,8H,4H2/t8-/m1/s1
InChIKeyZMHPIXWPOUTWTA-MRVPVSSYSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-fluoro-2,3-dihydroinden-1-one
CID 11031642
(2S)-2-bromo-5-methyl-2,3-dihydroinden-1-one
CID 177205826
(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one
CID 98010345
2-chloro-5-fluoro-2,3-dihydroinden-1-one
CID 116531382
(2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one
CID 177207093
2-bromo-5-hydroxy-2,3-dihydroinden-1-one
CID 71600332
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one
CID 68805219
2-benzoyl-5-fluoro-2,3-dihydroinden-1-one
CID 116531409
(6-fluoro-3-oxo-1,2-dihydroinden-2-yl) acetate
CID 175010012
6-bromo-3-fluoro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 22000390
6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one
CID 58717473

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one?
The IUPAC name of (2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one (CID 86313607) is (2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one?
The canonical SMILES for (2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one is O=C1c2ccc(F)cc2C[C@H]1Br.
What is the InChIKey of (2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one?
The InChIKey is ZMHPIXWPOUTWTA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H6BrFO/c10-8-4-5-3-6(11)1-2-7(5)9(8)12/h1-3,8H,4H2/t8-/m1/s1.
What are the key properties of (2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one?
(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one has a molecular weight of 229.05 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one is sourced from PubChem (CID 86313607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).