1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one

C16H14BrFO — CID 114885403

IUPAC1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)c1c(F)cccc1Br
InChIInChI=1S/C16H14BrFO/c17-13-9-5-10-14(18)16(13)15(19)11-4-8-12-6-2-1-3-7-12/h1-3,5-7,9-10H,4,8,11H2
InChIKeyRPCVYZZWVYNGAF-UHFFFAOYSA-N
MW321.19 g/mol
LogP4.79
Rot. Bonds5

About 1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one

1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one (PubChem CID 114885403) has the molecular formula C16H14BrFO and a molecular weight of 321.19 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one
PubChem CID114885403
Molecular FormulaC16H14BrFO
Molecular Weight321.19 g/mol
Exact Mass320.02
IUPAC Name1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)c1c(F)cccc1Br
InChIInChI=1S/C16H14BrFO/c17-13-9-5-10-14(18)16(13)15(19)11-4-8-12-6-2-1-3-7-12/h1-3,5-7,9-10H,4,8,11H2
InChIKeyRPCVYZZWVYNGAF-UHFFFAOYSA-N
XLogP4.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
CID 115678122
1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one
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1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 114885453
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
N-benzyl-2-bromo-N-(cyanomethyl)-6-fluorobenzamide
CID 114559561
5-bromo-1-(2,6-difluorophenyl)pentan-1-one
CID 146010071
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
1-(2,5-dibromophenyl)-4-phenylbutan-1-one
CID 114969935
1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 114559875
1-(2,4-difluorophenyl)-4-phenylbutan-1-one
CID 63084036
1-(4-bromothiophen-3-yl)-4-phenylbutan-1-one
CID 105116019
4-(2,6-difluorophenyl)-1-phenylbutan-1-one
CID 114934397

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one (CID 114885403) is 1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one is O=C(CCCc1ccccc1)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one?
The InChIKey is RPCVYZZWVYNGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO/c17-13-9-5-10-14(18)16(13)15(19)11-4-8-12-6-2-1-3-7-12/h1-3,5-7,9-10H,4,8,11H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one?
1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one has a molecular weight of 321.19 g/mol, XLogP of 4.79, 5 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)-4-phenylbutan-1-one is sourced from PubChem (CID 114885403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).