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

C14H8BrClF2O — CID 105398326

IUPAC1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C14H8BrClF2O/c15-11-7-13(18)10(6-12(11)16)14(19)5-8-2-1-3-9(17)4-8/h1-4,6-7H,5H2
InChIKeyJRUDAGMQUGBZHZ-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.81
Rot. Bonds3

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

1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone (PubChem CID 105398326) has the molecular formula C14H8BrClF2O and a molecular weight of 345.57 g/mol. Its IUPAC name is 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone
PubChem CID105398326
Molecular FormulaC14H8BrClF2O
Molecular Weight345.57 g/mol
Exact Mass343.94
IUPAC Name1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C14H8BrClF2O/c15-11-7-13(18)10(6-12(11)16)14(19)5-8-2-1-3-9(17)4-8/h1-4,6-7H,5H2
InChIKeyJRUDAGMQUGBZHZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 113403008
1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 147059181
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone
CID 116609736
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
1-(3-bromofuran-2-yl)-2-(3-fluorophenyl)ethanone
CID 63941843
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone
CID 82771447
N-(4-bromo-2,5-difluorophenyl)-2-(3-fluorophenyl)acetamide
CID 103842716
1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene
CID 105399717
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 82772175

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone (CID 105398326) is 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone?
The InChIKey is JRUDAGMQUGBZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2O/c15-11-7-13(18)10(6-12(11)16)14(19)5-8-2-1-3-9(17)4-8/h1-4,6-7H,5H2.
What are the key properties of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone?
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-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 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 105398326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).