1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone

C14H9BrClFO2 — CID 82716737

IUPAC1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)c(F)c1)c1ccccc1Br
InChIInChI=1S/C14H9BrClFO2/c15-11-4-2-1-3-10(11)14(18)8-19-9-5-6-12(16)13(17)7-9/h1-7H,8H2
InChIKeyUXNCAXUSWFSVDZ-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.50
Rot. Bonds4

About 1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone

1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone (PubChem CID 82716737) has the molecular formula C14H9BrClFO2 and a molecular weight of 343.58 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
PubChem CID82716737
Molecular FormulaC14H9BrClFO2
Molecular Weight343.58 g/mol
Exact Mass341.95
IUPAC Name1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)c(F)c1)c1ccccc1Br
InChIInChI=1S/C14H9BrClFO2/c15-11-4-2-1-3-10(11)14(18)8-19-9-5-6-12(16)13(17)7-9/h1-7H,8H2
InChIKeyUXNCAXUSWFSVDZ-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 22123529
1-(1-benzofuran-3-yl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82718215
2-(4-bromo-3-methylphenoxy)-1-(2-chlorophenyl)ethanone
CID 83140397
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene
CID 82716752
1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
CID 82716660
1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone
CID 60624762
2-(4-chlorophenoxy)-1-(2-hydroxyphenyl)ethanone
CID 71616835
1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612917
1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone
CID 62673255
1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone
CID 106644772
2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624448

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone (CID 82716737) is 1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone is O=C(COc1ccc(Cl)c(F)c1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone?
The InChIKey is UXNCAXUSWFSVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO2/c15-11-4-2-1-3-10(11)14(18)8-19-9-5-6-12(16)13(17)7-9/h1-7H,8H2.
What are the key properties of 1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone?
1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone has a molecular weight of 343.58 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone is sourced from PubChem (CID 82716737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).