1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone

C17H14BrFO — CID 114885464

IUPAC1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)c1c(F)cccc1Br
InChIInChI=1S/C17H14BrFO/c18-14-5-2-6-15(19)17(14)16(20)10-11-7-8-12-3-1-4-13(12)9-11/h2,5-9H,1,3-4,10H2
InChIKeySSKKULQFTLZCBU-UHFFFAOYSA-N
MW333.20 g/mol
LogP4.50
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone

1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 114885464) has the molecular formula C17H14BrFO and a molecular weight of 333.20 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID114885464
Molecular FormulaC17H14BrFO
Molecular Weight333.20 g/mol
Exact Mass332.02
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)c1c(F)cccc1Br
InChIInChI=1S/C17H14BrFO/c18-14-5-2-6-15(19)17(14)16(20)10-11-7-8-12-3-1-4-13(12)9-11/h2,5-9H,1,3-4,10H2
InChIKeySSKKULQFTLZCBU-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974389
1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone
CID 114559851
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
1-(3-chloro-2-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64714500
1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 114559875
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
CID 114885274
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 114885386
1-(2,6-difluorophenyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone
CID 58404253
1-(2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 61077688
1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803383
1-(2,6-difluorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
CID 159962805

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone (CID 114885464) is 1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone is O=C(Cc1ccc2c(c1)CCC2)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is SSKKULQFTLZCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFO/c18-14-5-2-6-15(19)17(14)16(20)10-11-7-8-12-3-1-4-13(12)9-11/h2,5-9H,1,3-4,10H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 333.20 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 114885464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).