1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one

C15H10BrF3O — CID 115786755

IUPAC1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one
SMILESO=C(Cc1cc(F)cc(Br)c1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H10BrF3O/c16-11-3-10(4-12(17)8-11)6-13(20)5-9-1-2-14(18)15(19)7-9/h1-4,7-8H,5-6H2
InChIKeyBFDARZYCGOJAOF-UHFFFAOYSA-N
MW343.14 g/mol
LogP4.22
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one

1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one (PubChem CID 115786755) has the molecular formula C15H10BrF3O and a molecular weight of 343.14 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one
PubChem CID115786755
Molecular FormulaC15H10BrF3O
Molecular Weight343.14 g/mol
Exact Mass341.99
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one
SMILESO=C(Cc1cc(F)cc(Br)c1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H10BrF3O/c16-11-3-10(4-12(17)8-11)6-13(20)5-9-1-2-14(18)15(19)7-9/h1-4,7-8H,5-6H2
InChIKeyBFDARZYCGOJAOF-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 79702459
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
1-(3-bromo-5-fluorophenyl)-3-methylsulfanylpropan-2-one
CID 79701369
8-amino-1-(3-bromo-5-fluorophenyl)octan-2-one
CID 116551438
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 79702795
1-(3-bromo-5-fluorophenyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786586
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039318
1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one
CID 105118221
1-(3-bromo-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446397
1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
CID 63409310
methyl 5-(3,4-difluorophenyl)-4-oxopentanoate
CID 63899481
1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65476457

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one (CID 115786755) is 1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one is O=C(Cc1cc(F)cc(Br)c1)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one?
The InChIKey is BFDARZYCGOJAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3O/c16-11-3-10(4-12(17)8-11)6-13(20)5-9-1-2-14(18)15(19)7-9/h1-4,7-8H,5-6H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one?
1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one has a molecular weight of 343.14 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one is sourced from PubChem (CID 115786755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).