2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol

C14H9Br3F2O — CID 106265752

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
SMILESOC(Cc1c(F)ccc(Br)c1F)c1ccc(Br)c(Br)c1
InChIInChI=1S/C14H9Br3F2O/c15-9-2-1-7(5-11(9)17)13(20)6-8-12(18)4-3-10(16)14(8)19/h1-5,13,20H,6H2
InChIKeyHHIBRNHQQRHYLR-UHFFFAOYSA-N
MW470.93 g/mol
LogP5.53
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol

2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol (PubChem CID 106265752) has the molecular formula C14H9Br3F2O and a molecular weight of 470.93 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
PubChem CID106265752
Molecular FormulaC14H9Br3F2O
Molecular Weight470.93 g/mol
Exact Mass467.82
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
SMILESOC(Cc1c(F)ccc(Br)c1F)c1ccc(Br)c(Br)c1
InChIInChI=1S/C14H9Br3F2O/c15-9-2-1-7(5-11(9)17)13(20)6-8-12(18)4-3-10(16)14(8)19/h1-5,13,20H,6H2
InChIKeyHHIBRNHQQRHYLR-UHFFFAOYSA-N
XLogP5.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.93
LogP ≤ 55.53
H-Bond Donors ≤ 51
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-(3,5-dibromo-2-pyridinyl)ethanol
CID 106265600
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 106269029
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
CID 106274383
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 106274418
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780
2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol
CID 106266549
1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 106266420
[2-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 106270697
1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol (CID 106265752) is 2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol is OC(Cc1c(F)ccc(Br)c1F)c1ccc(Br)c(Br)c1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol?
The InChIKey is HHIBRNHQQRHYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3F2O/c15-9-2-1-7(5-11(9)17)13(20)6-8-12(18)4-3-10(16)14(8)19/h1-5,13,20H,6H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol?
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol has a molecular weight of 470.93 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol is sourced from PubChem (CID 106265752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).