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

C15H12BrF3O — CID 62787446

IUPAC1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1cccc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12BrF3O/c1-14(20,11-5-3-7-13(16)9-11)10-4-2-6-12(8-10)15(17,18)19/h2-9,20H,1H3
InChIKeyGFMGJRRYNRZVIC-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.72
Rot. Bonds2

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

1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 62787446) has the molecular formula C15H12BrF3O and a molecular weight of 345.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID62787446
Molecular FormulaC15H12BrF3O
Molecular Weight345.16 g/mol
Exact Mass344.00
IUPAC Name1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1cccc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12BrF3O/c1-14(20,11-5-3-7-13(16)9-11)10-4-2-6-12(8-10)15(17,18)19/h2-9,20H,1H3
InChIKeyGFMGJRRYNRZVIC-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-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787437
azane;1-bromo-3-(trifluoromethyl)benzene;carbonic acid
CID 175115422
1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 55187138
(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
CID 142383072
1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
CID 106971462
1-(3-bromophenyl)-1-(4-propylphenyl)ethanol
CID 63406796
1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 3857608
2-(3-bromophenyl)but-3-en-2-ol;ethane
CID 90927695
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
1-(3-bromophenyl)-1-pyridin-2-ylethanol
CID 163303407
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82805505

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 62787446) is 1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol is CC(O)(c1cccc(Br)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is GFMGJRRYNRZVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O/c1-14(20,11-5-3-7-13(16)9-11)10-4-2-6-12(8-10)15(17,18)19/h2-9,20H,1H3.
What are the key properties of 1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol?
1-(3-bromophenyl)-1-[3-(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-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 62787446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).