2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol

C14H9Cl2F3O — CID 62964279

IUPAC2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H9Cl2F3O/c15-9-2-1-3-10(16)8(9)6-12(20)7-4-5-11(17)14(19)13(7)18/h1-5,12,20H,6H2
InChIKeyJZIYQEHXXIWDIT-UHFFFAOYSA-N
MW321.13 g/mol
LogP4.69
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol

2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol (PubChem CID 62964279) has the molecular formula C14H9Cl2F3O and a molecular weight of 321.13 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol
PubChem CID62964279
Molecular FormulaC14H9Cl2F3O
Molecular Weight321.13 g/mol
Exact Mass320.00
IUPAC Name2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H9Cl2F3O/c15-9-2-1-3-10(16)8(9)6-12(20)7-4-5-11(17)14(19)13(7)18/h1-5,12,20H,6H2
InChIKeyJZIYQEHXXIWDIT-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 54.69
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-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
CID 81263148
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol
CID 63411090
2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 82806473
1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 81263221
2-(2,3-dichlorophenyl)-1-(2,3-difluorophenyl)ethanol
CID 107307471
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832377
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanol
CID 63017670
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487
1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 107103304
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 106859115

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol (CID 62964279) is 2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol is OC(Cc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol?
The InChIKey is JZIYQEHXXIWDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3O/c15-9-2-1-3-10(16)8(9)6-12(20)7-4-5-11(17)14(19)13(7)18/h1-5,12,20H,6H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol?
2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol has a molecular weight of 321.13 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol is sourced from PubChem (CID 62964279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).