2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone

C14H8BrClF2O — CID 82771447

IUPAC2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H8BrClF2O/c15-9-3-1-8(2-4-9)5-14(19)10-6-13(18)11(16)7-12(10)17/h1-4,6-7H,5H2
InChIKeyXTVVDMFFTNYENV-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.81
Rot. Bonds3

About 2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone

2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone (PubChem CID 82771447) has the molecular formula C14H8BrClF2O and a molecular weight of 345.57 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone
PubChem CID82771447
Molecular FormulaC14H8BrClF2O
Molecular Weight345.57 g/mol
Exact Mass343.94
IUPAC Name2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H8BrClF2O/c15-9-3-1-8(2-4-9)5-14(19)10-6-13(18)11(16)7-12(10)17/h1-4,6-7H,5H2
InChIKeyXTVVDMFFTNYENV-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

2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone
CID 103301488
1-(4-chloro-2,5-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966239
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 115816050
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655306
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 82772175
1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone
CID 82703999
1-(4-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 114905791
3-amino-1-(4-chloro-2,5-difluorophenyl)propan-1-one
CID 84787105
1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 114963420
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
CID 61055894
1-(4-chloro-2,5-difluorophenyl)but-3-yn-1-one
CID 114962072

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone (CID 82771447) is 2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone is O=C(Cc1ccc(Br)cc1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone?
The InChIKey is XTVVDMFFTNYENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2O/c15-9-3-1-8(2-4-9)5-14(19)10-6-13(18)11(16)7-12(10)17/h1-4,6-7H,5H2.
What are the key properties of 2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone?
2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)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-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone is sourced from PubChem (CID 82771447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).