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

C14H10BrCl2FO — CID 115784831

IUPAC2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10BrCl2FO/c15-9-1-4-13(18)8(5-9)6-14(19)11-7-10(16)2-3-12(11)17/h1-5,7,14,19H,6H2
InChIKeyXADSNCAANNEHMD-UHFFFAOYSA-N
MW364.04 g/mol
LogP5.17
Rot. Bonds3

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

2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol (PubChem CID 115784831) has the molecular formula C14H10BrCl2FO and a molecular weight of 364.04 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
PubChem CID115784831
Molecular FormulaC14H10BrCl2FO
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10BrCl2FO/c15-9-1-4-13(18)8(5-9)6-14(19)11-7-10(16)2-3-12(11)17/h1-5,7,14,19H,6H2
InChIKeyXADSNCAANNEHMD-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-(2,5-dichlorophenyl)-2-(2-fluorophenyl)ethanol
CID 61082200
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148464
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115784984
1-(5-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 115787558
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894369
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115839366
2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 62606952
1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 115784854
2-(4-bromo-2-fluoroanilino)-1-(2,5-dichlorophenyl)ethanol
CID 63488275

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol (CID 115784831) is 2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol is OC(Cc1cc(Br)ccc1F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol?
The InChIKey is XADSNCAANNEHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FO/c15-9-1-4-13(18)8(5-9)6-14(19)11-7-10(16)2-3-12(11)17/h1-5,7,14,19H,6H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(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 2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 115784831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).