1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol

C14H9Br2F3O — CID 107538257

IUPAC1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H9Br2F3O/c15-9-5-7(1-3-10(9)17)6-12(20)8-2-4-11(18)14(19)13(8)16/h1-5,12,20H,6H2
InChIKeyBBSZNULDTSVRPL-UHFFFAOYSA-N
MW410.03 g/mol
LogP4.91
Rot. Bonds3

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

1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol (PubChem CID 107538257) has the molecular formula C14H9Br2F3O and a molecular weight of 410.03 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
PubChem CID107538257
Molecular FormulaC14H9Br2F3O
Molecular Weight410.03 g/mol
Exact Mass407.90
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1ccc(F)c(F)c1Br
InChIInChI=1S/C14H9Br2F3O/c15-9-5-7(1-3-10(9)17)6-12(20)8-2-4-11(18)14(19)13(8)16/h1-5,12,20H,6H2
InChIKeyBBSZNULDTSVRPL-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.03
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol
CID 107538431
2-(3-bromo-4-fluorophenyl)-1-naphthalen-1-ylethanol
CID 63410648
1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol
CID 107538484
1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 115779651
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107538503
1-(2-bromo-3,4-difluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 107538377
1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 107538340
1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954757
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
[2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)ethyl]hydrazine
CID 105216503
[2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
CID 114019518
2-(3-bromo-4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanol
CID 63841370

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol (CID 107538257) is 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol is OC(Cc1ccc(F)c(Br)c1)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol?
The InChIKey is BBSZNULDTSVRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F3O/c15-9-5-7(1-3-10(9)17)6-12(20)8-2-4-11(18)14(19)13(8)16/h1-5,12,20H,6H2.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol?
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol has a molecular weight of 410.03 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol is sourced from PubChem (CID 107538257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).