1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one

C15H9BrF4O — CID 106266079

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1F)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H9BrF4O/c16-12-3-4-13(18)11(15(12)20)7-10(21)5-8-1-2-9(17)6-14(8)19/h1-4,6H,5,7H2
InChIKeyCZLQXBJWGWHLBU-UHFFFAOYSA-N
MW361.13 g/mol
LogP4.36
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one

1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one (PubChem CID 106266079) has the molecular formula C15H9BrF4O and a molecular weight of 361.13 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one
PubChem CID106266079
Molecular FormulaC15H9BrF4O
Molecular Weight361.13 g/mol
Exact Mass359.98
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1F)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H9BrF4O/c16-12-3-4-13(18)11(15(12)20)7-10(21)5-8-1-2-9(17)6-14(8)19/h1-4,6H,5,7H2
InChIKeyCZLQXBJWGWHLBU-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.13
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
1-amino-3-(3-bromo-2,6-difluorophenyl)propan-2-one
CID 106272455
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63410030
1-(3-bromo-2,6-difluorophenyl)-3-(methylamino)propan-2-one
CID 106272492
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 58272812
3-(3-bromo-2,6-difluorophenyl)-2-oxopropanoic acid
CID 130874083
2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 106266017
1-(3-bromo-2,6-difluorophenyl)-5-methylhexan-2-one
CID 106266013
1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one
CID 63410407

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one (CID 106266079) is 1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one is O=C(Cc1ccc(F)cc1F)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one?
The InChIKey is CZLQXBJWGWHLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF4O/c16-12-3-4-13(18)11(15(12)20)7-10(21)5-8-1-2-9(17)6-14(8)19/h1-4,6H,5,7H2.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one?
1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one has a molecular weight of 361.13 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one is sourced from PubChem (CID 106266079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).