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

C14H10BrCl2FO — CID 115802037

IUPAC1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C14H10BrCl2FO/c15-12-3-2-10(18)7-11(12)14(19)6-8-5-9(16)1-4-13(8)17/h1-5,7,14,19H,6H2
InChIKeyZFKSCQXYFJITIY-UHFFFAOYSA-N
MW364.04 g/mol
LogP5.17
Rot. Bonds3

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

1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol (PubChem CID 115802037) has the molecular formula C14H10BrCl2FO and a molecular weight of 364.04 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
PubChem CID115802037
Molecular FormulaC14H10BrCl2FO
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C14H10BrCl2FO/c15-12-3-2-10(18)7-11(12)14(19)6-8-5-9(16)1-4-13(8)17/h1-5,7,14,19H,6H2
InChIKeyZFKSCQXYFJITIY-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

1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065
1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 82685676
2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 102617223
2-(2-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150935
1-(2-bromo-5-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102867515
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 107954021
2-(2-bromo-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150787
2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947895
1-(5-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 115787558
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-fluorophenyl)ethanol
CID 115826503
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053350

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol (CID 115802037) is 1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol is OC(Cc1cc(Cl)ccc1Cl)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol?
The InChIKey is ZFKSCQXYFJITIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FO/c15-12-3-2-10(18)7-11(12)14(19)6-8-5-9(16)1-4-13(8)17/h1-5,7,14,19H,6H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol?
1-(2-bromo-5-fluorophenyl)-2-(2,5-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 1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 115802037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).