1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one

C15H11BrF2O2 — CID 63038697

IUPAC1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one
SMILESCC(Oc1cccc(F)c1F)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF2O2/c1-9(15(19)10-5-7-11(16)8-6-10)20-13-4-2-3-12(17)14(13)18/h2-9H,1H3
InChIKeyYMUIYXILHZJEQE-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.38
Rot. Bonds4

About 1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one

1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one (PubChem CID 63038697) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one
PubChem CID63038697
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one
SMILESCC(Oc1cccc(F)c1F)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF2O2/c1-9(15(19)10-5-7-11(16)8-6-10)20-13-4-2-3-12(17)14(13)18/h2-9H,1H3
InChIKeyYMUIYXILHZJEQE-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one
CID 60626928
2-(2,3-difluorophenoxy)propanamide
CID 63038540
2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one
CID 114674200
2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 62032368
1-(4-bromophenyl)-2-[(2-fluorophenyl)methoxy]propan-1-one
CID 63937365
2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one
CID 60626925
2-(5-bromo-2-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 114674182
2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid
CID 21274138
1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 43413854
(3R)-3-(2,3-difluorophenoxy)butanoic acid
CID 94985896
(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 95356280
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one (CID 63038697) is 1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one is CC(Oc1cccc(F)c1F)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one?
The InChIKey is YMUIYXILHZJEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c1-9(15(19)10-5-7-11(16)8-6-10)20-13-4-2-3-12(17)14(13)18/h2-9H,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one?
1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one has a molecular weight of 341.15 g/mol, XLogP of 4.38, 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-(2,3-difluorophenoxy)propan-1-one is sourced from PubChem (CID 63038697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).