1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol

C15H12BrF3O — CID 62608254

IUPAC1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1cccc(C(F)(F)F)c1)c1ccccc1Br
InChIInChI=1S/C15H12BrF3O/c16-13-7-2-1-6-12(13)14(20)9-10-4-3-5-11(8-10)15(17,18)19/h1-8,14,20H,9H2
InChIKeySJBSBWUENSNXBG-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.74
Rot. Bonds3

About 1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol

1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 62608254) has the molecular formula C15H12BrF3O and a molecular weight of 345.16 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID62608254
Molecular FormulaC15H12BrF3O
Molecular Weight345.16 g/mol
Exact Mass344.00
IUPAC Name1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1cccc(C(F)(F)F)c1)c1ccccc1Br
InChIInChI=1S/C15H12BrF3O/c16-13-7-2-1-6-12(13)14(20)9-10-4-3-5-11(8-10)15(17,18)19/h1-8,14,20H,9H2
InChIKeySJBSBWUENSNXBG-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol (CID 62608254) is 1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol is OC(Cc1cccc(C(F)(F)F)c1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is SJBSBWUENSNXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O/c16-13-7-2-1-6-12(13)14(20)9-10-4-3-5-11(8-10)15(17,18)19/h1-8,14,20H,9H2.
What are the key properties of 1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol?
1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 345.16 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 62608254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).