1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol

C15H12BrF3O — CID 62802957

IUPAC1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1ccc(Br)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12BrF3O/c1-14(20,10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)15(17,18)19/h2-9,20H,1H3
InChIKeyCFEPNYDFXJHINU-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.72
Rot. Bonds2

About 1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol

1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 62802957) has the molecular formula C15H12BrF3O and a molecular weight of 345.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID62802957
Molecular FormulaC15H12BrF3O
Molecular Weight345.16 g/mol
Exact Mass344.00
IUPAC Name1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1ccc(Br)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12BrF3O/c1-14(20,10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)15(17,18)19/h2-9,20H,1H3
InChIKeyCFEPNYDFXJHINU-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802958
1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62801465
1-(2-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62788125
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
1-(2-bromophenyl)-1-(4-fluorophenyl)ethanol
CID 60795081
1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 115467245
1-(2-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802798
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
1-(4-chlorophenyl)-1-(2-fluorophenyl)ethanol
CID 55026142
1-(2-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 60793952
1-(4-bromophenyl)-1-dimethylphosphanylethanol
CID 171643768
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 62802957) is 1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol is CC(O)(c1ccc(Br)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is CFEPNYDFXJHINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O/c1-14(20,10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)15(17,18)19/h2-9,20H,1H3.
What are the key properties of 1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 345.16 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 62802957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).