2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol

C15H11Cl2F3O — CID 63411008

IUPAC2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11Cl2F3O/c16-12-6-3-7-13(17)10(12)8-14(21)9-4-1-2-5-11(9)15(18,19)20/h1-7,14,21H,8H2
InChIKeyDOLDDGWBRPFGPX-UHFFFAOYSA-N
MW335.15 g/mol
LogP5.29
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol

2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 63411008) has the molecular formula C15H11Cl2F3O and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID63411008
Molecular FormulaC15H11Cl2F3O
Molecular Weight335.15 g/mol
Exact Mass334.01
IUPAC Name2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11Cl2F3O/c16-12-6-3-7-13(17)10(12)8-14(21)9-4-1-2-5-11(9)15(18,19)20/h1-7,14,21H,8H2
InChIKeyDOLDDGWBRPFGPX-UHFFFAOYSA-N
XLogP5.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.15
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 107103304
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 62964279
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62801984
1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol
CID 63411090
2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol
CID 105476954
2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol
CID 68633645
1-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
CID 81263148
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 63411008) is 2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol is OC(Cc1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is DOLDDGWBRPFGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3O/c16-12-6-3-7-13(17)10(12)8-14(21)9-4-1-2-5-11(9)15(18,19)20/h1-7,14,21H,8H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 335.15 g/mol, XLogP of 5.29, 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-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 63411008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).