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

C15H12BrF3O — CID 115786894

IUPAC1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1Br)Cc1c(F)cccc1F
InChIInChI=1S/C15H12BrF3O/c16-13-7-10(17)5-4-9(13)6-11(20)8-12-14(18)2-1-3-15(12)19/h1-5,7,11,20H,6,8H2
InChIKeyGOFUGIYTONQBOX-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.01
Rot. Bonds4

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

1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol (PubChem CID 115786894) has the molecular formula C15H12BrF3O and a molecular weight of 345.16 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol
PubChem CID115786894
Molecular FormulaC15H12BrF3O
Molecular Weight345.16 g/mol
Exact Mass344.00
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1Br)Cc1c(F)cccc1F
InChIInChI=1S/C15H12BrF3O/c16-13-7-10(17)5-4-9(13)6-11(20)8-12-14(18)2-1-3-15(12)19/h1-5,7,11,20H,6,8H2
InChIKeyGOFUGIYTONQBOX-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-(2,4-difluorophenyl)propan-2-ol
CID 64561385
1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931497
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115786915
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 63410897
1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931469
1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 63410719
1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547417
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453
1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777
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
2-(2-bromo-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150787

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol (CID 115786894) is 1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol is OC(Cc1ccc(F)cc1Br)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol?
The InChIKey is GOFUGIYTONQBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O/c16-13-7-10(17)5-4-9(13)6-11(20)8-12-14(18)2-1-3-15(12)19/h1-5,7,11,20H,6,8H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol?
1-(2-bromo-4-fluorophenyl)-3-(2,6-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-(2,6-difluorophenyl)propan-2-ol is sourced from PubChem (CID 115786894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).