2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone

C14H8BrClF2O — CID 79702795

IUPAC2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(Br)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H8BrClF2O/c15-9-3-8(4-11(17)6-9)5-14(19)12-2-1-10(16)7-13(12)18/h1-4,6-7H,5H2
InChIKeyBQTHUDJFWWYDGM-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.81
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone

2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone (PubChem CID 79702795) has the molecular formula C14H8BrClF2O and a molecular weight of 345.57 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
PubChem CID79702795
Molecular FormulaC14H8BrClF2O
Molecular Weight345.57 g/mol
Exact Mass343.94
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(Br)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H8BrClF2O/c15-9-3-8(4-11(17)6-9)5-14(19)12-2-1-10(16)7-13(12)18/h1-4,6-7H,5H2
InChIKeyBQTHUDJFWWYDGM-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115786719
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
1-(3-bromo-5-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 79702459
1-(2,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 62789590
1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105405269
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 107967710
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 106761722
2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964616
2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 115786701
1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one
CID 115786755

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone (CID 79702795) is 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone is O=C(Cc1cc(F)cc(Br)c1)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone?
The InChIKey is BQTHUDJFWWYDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2O/c15-9-3-8(4-11(17)6-9)5-14(19)12-2-1-10(16)7-13(12)18/h1-4,6-7H,5H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone?
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone has a molecular weight of 345.57 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 79702795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).