1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone

C15H11BrF2O2 — CID 146011181

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H11BrF2O2/c16-11-6-12(17)15(13(18)7-11)14(19)9-20-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyBRBLDAXAWPKJIT-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.13
Rot. Bonds5

About 1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone

1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone (PubChem CID 146011181) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone
PubChem CID146011181
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H11BrF2O2/c16-11-6-12(17)15(13(18)7-11)14(19)9-20-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyBRBLDAXAWPKJIT-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone
CID 146011151
1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone
CID 115782966
1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone
CID 146010879
1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone
CID 146006170
3-amino-4-(2-phenylmethoxyacetyl)cyclobut-3-ene-1,2-dione
CID 142659143
1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone
CID 43800820
1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
CID 62030398
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
CID 102233436
1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
CID 62030960
1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-phenylmethoxyethanone
CID 146009381
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146008767

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone (CID 146011181) is 1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone is O=C(COCc1ccccc1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone?
The InChIKey is BRBLDAXAWPKJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c16-11-6-12(17)15(13(18)7-11)14(19)9-20-8-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone?
1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone has a molecular weight of 341.15 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone is sourced from PubChem (CID 146011181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).