(6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate

C11H10BrFO2 — CID 154944159

IUPAC(6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate
SMILESCC(=O)OC1CCc2c(F)cc(Br)cc21
InChIInChI=1S/C11H10BrFO2/c1-6(14)15-11-3-2-8-9(11)4-7(12)5-10(8)13/h4-5,11H,2-3H2,1H3
InChIKeyVOQNBNHBYICFIT-UHFFFAOYSA-N
MW273.10 g/mol
LogP3.14
Rot. Bonds1

About (6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate

(6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate (PubChem CID 154944159) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is (6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate.

Molecular Properties

Compound Name(6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate
PubChem CID154944159
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Name(6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate
SMILESCC(=O)OC1CCc2c(F)cc(Br)cc21
InChIInChI=1S/C11H10BrFO2/c1-6(14)15-11-3-2-8-9(11)4-7(12)5-10(8)13/h4-5,11H,2-3H2,1H3
InChIKeyVOQNBNHBYICFIT-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
4-Bromo-3-fluorobenzyl acetate
CID 68743748
1-(3-Bromophenyl)ethyl acetate
CID 244763
[(2S)-2-acetyloxy-2-(4-bromo-2-fluorophenyl)ethyl] acetate
CID 134843282
[(2R)-2-acetyloxy-2-(4-bromo-2-fluorophenyl)ethyl] acetate
CID 177856624
[(1R)-1-(4-bromophenyl)ethyl] acetate
CID 11770642
1-(4-Bromophenyl)ethyl acetate
CID 13481020
4-Bromo-1-indanyl acetate
CID 19801183
[(1R)-1-(4-bromophenyl)but-3-enyl] acetate
CID 134965930
3-Bromo-alpha-methylbenzyl alcohol, trifluoroacetate
CID 91703444
2-(Acetoxymethyl)-4-bromo-1-fluorobenzene
CID 13553296
(4-Bromo-2-fluorophenyl)methyl acetate
CID 57718383

Frequently Asked Questions

What is the IUPAC name of (6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate?
The IUPAC name of (6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate (CID 154944159) is (6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate.
What is the SMILES notation for (6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate?
The canonical SMILES for (6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate is CC(=O)OC1CCc2c(F)cc(Br)cc21.
What is the InChIKey of (6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate?
The InChIKey is VOQNBNHBYICFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c1-6(14)15-11-3-2-8-9(11)4-7(12)5-10(8)13/h4-5,11H,2-3H2,1H3.
What are the key properties of (6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate?
(6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate has a molecular weight of 273.10 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl) acetate is sourced from PubChem (CID 154944159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).