1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol

C13H10BrF3O2 — CID 83172736

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol
SMILESOC(Cc1ccoc1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H10BrF3O2/c14-9-1-2-10(11(6-9)13(15,16)17)12(18)5-8-3-4-19-7-8/h1-4,6-7,12,18H,5H2
InChIKeyQMYSGLPLABOWOJ-UHFFFAOYSA-N
MW335.12 g/mol
LogP4.34
Rot. Bonds3

About 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol

1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol (PubChem CID 83172736) has the molecular formula C13H10BrF3O2 and a molecular weight of 335.12 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol
PubChem CID83172736
Molecular FormulaC13H10BrF3O2
Molecular Weight335.12 g/mol
Exact Mass333.98
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol
SMILESOC(Cc1ccoc1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H10BrF3O2/c14-9-1-2-10(11(6-9)13(15,16)17)12(18)5-8-3-4-19-7-8/h1-4,6-7,12,18H,5H2
InChIKeyQMYSGLPLABOWOJ-UHFFFAOYSA-N
XLogP4.34
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol
CID 83175379
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethanol
CID 63411022
1-(4-bromophenyl)-2-(furan-3-yl)ethanol
CID 83173019
1-(2-bromophenyl)-2-(furan-3-yl)ethanol
CID 83171625
4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene
CID 107333507
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818
2,5-dibromo-3-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]thiophene
CID 107333377
4-bromo-2-[2-(furan-3-yl)-1-hydrazinylethyl]aniline
CID 105263473
1-(3-fluorophenyl)-2-(furan-3-yl)ethanol
CID 83171476
[4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol
CID 64776028
1,2-bis(furan-3-yl)ethanol
CID 83172033
[2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105212857

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol (CID 83172736) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol is OC(Cc1ccoc1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol?
The InChIKey is QMYSGLPLABOWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3O2/c14-9-1-2-10(11(6-9)13(15,16)17)12(18)5-8-3-4-19-7-8/h1-4,6-7,12,18H,5H2.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol?
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol has a molecular weight of 335.12 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol is sourced from PubChem (CID 83172736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).