1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol

C14H10BrClF2O — CID 81447982

IUPAC1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1Cl)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H10BrClF2O/c15-11-4-2-9(5-13(11)18)14(19)6-8-1-3-10(17)7-12(8)16/h1-5,7,14,19H,6H2
InChIKeyDWTPJMFKWFQRLN-UHFFFAOYSA-N
MW347.59 g/mol
LogP4.66
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol

1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol (PubChem CID 81447982) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
PubChem CID81447982
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1Cl)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H10BrClF2O/c15-11-4-2-9(5-13(11)18)14(19)6-8-1-3-10(17)7-12(8)16/h1-5,7,14,19H,6H2
InChIKeyDWTPJMFKWFQRLN-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-fluorophenyl)-2-(2-chlorophenyl)ethanol
CID 55151202
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 62607022
2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 63035615
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745
1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol
CID 103216689
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053459
2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol
CID 63895535
1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346820
2-(2-chloro-4-fluorophenyl)-1-(3-methoxyphenyl)ethanol
CID 62607563
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 81307399
2-(2,4-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79704311

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol (CID 81447982) is 1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol is OC(Cc1ccc(F)cc1Cl)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol?
The InChIKey is DWTPJMFKWFQRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c15-11-4-2-9(5-13(11)18)14(19)6-8-1-3-10(17)7-12(8)16/h1-5,7,14,19H,6H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol?
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol has a molecular weight of 347.59 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 81447982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).