2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol

C14H10BrCl2FO — CID 79702768

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H10BrCl2FO/c15-9-4-8(5-10(18)7-9)6-13(19)14-11(16)2-1-3-12(14)17/h1-5,7,13,19H,6H2
InChIKeyFAMXWAWLPDGBDK-UHFFFAOYSA-N
MW364.04 g/mol
LogP5.17
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol

2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol (PubChem CID 79702768) has the molecular formula C14H10BrCl2FO and a molecular weight of 364.04 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
PubChem CID79702768
Molecular FormulaC14H10BrCl2FO
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H10BrCl2FO/c15-9-4-8(5-10(18)7-9)6-13(19)14-11(16)2-1-3-12(14)17/h1-5,7,13,19H,6H2
InChIKeyFAMXWAWLPDGBDK-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.04
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 105015454
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822735
2-(3-bromo-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115822817
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822786
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 79709381
1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 79701916
2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79786869
1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664
1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
CID 63017169
1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 105115438

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol (CID 79702768) is 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol is OC(Cc1cc(F)cc(Br)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol?
The InChIKey is FAMXWAWLPDGBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FO/c15-9-4-8(5-10(18)7-9)6-13(19)14-11(16)2-1-3-12(14)17/h1-5,7,13,19H,6H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol has a molecular weight of 364.04 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol is sourced from PubChem (CID 79702768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).