2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone

C14H9BrF2O2 — CID 60625676

IUPAC2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(COc1cccc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H9BrF2O2/c15-9-2-1-3-11(6-9)19-8-14(18)12-7-10(16)4-5-13(12)17/h1-7H,8H2
InChIKeyHTHIIVRWGGRPNC-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.99
Rot. Bonds4

About 2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone

2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone (PubChem CID 60625676) has the molecular formula C14H9BrF2O2 and a molecular weight of 327.12 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone
PubChem CID60625676
Molecular FormulaC14H9BrF2O2
Molecular Weight327.12 g/mol
Exact Mass325.98
IUPAC Name2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(COc1cccc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H9BrF2O2/c15-9-2-1-3-11(6-9)19-8-14(18)12-7-10(16)4-5-13(12)17/h1-7H,8H2
InChIKeyHTHIIVRWGGRPNC-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 62785048
2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60626920
2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624522
2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624448
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone
CID 43220054
2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone
CID 64637514
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511
sodium 2-(3-bromophenoxy)acetate
CID 19205570
2-(3-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7935362
1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43612562
1-[2-[2-(3-bromophenoxy)ethoxy]-4-fluorophenyl]ethanone
CID 63069027

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone (CID 60625676) is 2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone is O=C(COc1cccc(Br)c1)c1cc(F)ccc1F.
What is the InChIKey of 2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone?
The InChIKey is HTHIIVRWGGRPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O2/c15-9-2-1-3-11(6-9)19-8-14(18)12-7-10(16)4-5-13(12)17/h1-7H,8H2.
What are the key properties of 2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone?
2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone has a molecular weight of 327.12 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 60625676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).