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

C15H12BrF3O — CID 64561385

IUPAC1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1F)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H12BrF3O/c16-14-7-11(17)3-1-9(14)5-13(20)6-10-2-4-12(18)8-15(10)19/h1-4,7-8,13,20H,5-6H2
InChIKeyUENXIYGPIJEKMT-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.01
Rot. Bonds4

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

1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol (PubChem CID 64561385) has the molecular formula C15H12BrF3O and a molecular weight of 345.16 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
PubChem CID64561385
Molecular FormulaC15H12BrF3O
Molecular Weight345.16 g/mol
Exact Mass344.00
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1F)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H12BrF3O/c16-14-7-11(17)3-1-9(14)5-13(20)6-10-2-4-12(18)8-15(10)19/h1-4,7-8,13,20H,5-6H2
InChIKeyUENXIYGPIJEKMT-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 115786894
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-(2,4-difluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920034
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 63410897
1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547417
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
1-(2-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 62608381
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575189
1-(2,4-dibromophenyl)-2-(2,4-difluorophenyl)ethanol
CID 107947331
1-(2,3-dichlorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 107308144
1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol (CID 64561385) is 1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol is OC(Cc1ccc(F)cc1F)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol?
The InChIKey is UENXIYGPIJEKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O/c16-14-7-11(17)3-1-9(14)5-13(20)6-10-2-4-12(18)8-15(10)19/h1-4,7-8,13,20H,5-6H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol?
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol has a molecular weight of 345.16 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol is sourced from PubChem (CID 64561385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).