1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone

C14H9BrF2O2 — CID 43612513

IUPAC1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrF2O2/c15-10-3-1-9(2-4-10)14(18)8-19-11-5-6-12(16)13(17)7-11/h1-7H,8H2
InChIKeyIRKOMAKTGFEXCK-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.99
Rot. Bonds4

About 1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone

1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone (PubChem CID 43612513) has the molecular formula C14H9BrF2O2 and a molecular weight of 327.12 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
PubChem CID43612513
Molecular FormulaC14H9BrF2O2
Molecular Weight327.12 g/mol
Exact Mass325.98
IUPAC Name1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrF2O2/c15-10-3-1-9(2-4-10)14(18)8-19-11-5-6-12(16)13(17)7-11/h1-7H,8H2
InChIKeyIRKOMAKTGFEXCK-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

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Related Compounds

2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43612503
4-[2-(3,4-difluorophenoxy)acetyl]benzonitrile
CID 43612525
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 43612540
2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone
CID 4213919
2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone
CID 67899293
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
CID 114674085

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone (CID 43612513) is 1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone is O=C(COc1ccc(F)c(F)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone?
The InChIKey is IRKOMAKTGFEXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O2/c15-10-3-1-9(2-4-10)14(18)8-19-11-5-6-12(16)13(17)7-11/h1-7H,8H2.
What are the key properties of 1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone?
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)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 1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone is sourced from PubChem (CID 43612513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).