(5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol

C12H8BrF3O2 — CID 63893476

IUPAC(5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(Br)o1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H8BrF3O2/c13-10-6-5-9(18-10)11(17)7-3-1-2-4-8(7)12(14,15)16/h1-6,11,17H
InChIKeyFJVNIBNMZKNHAC-UHFFFAOYSA-N
MW321.09 g/mol
LogP4.14
Rot. Bonds2

About (5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol

(5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 63893476) has the molecular formula C12H8BrF3O2 and a molecular weight of 321.09 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID63893476
Molecular FormulaC12H8BrF3O2
Molecular Weight321.09 g/mol
Exact Mass319.97
IUPAC Name(5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(Br)o1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H8BrF3O2/c13-10-6-5-9(18-10)11(17)7-3-1-2-4-8(7)12(14,15)16/h1-6,11,17H
InChIKeyFJVNIBNMZKNHAC-UHFFFAOYSA-N
XLogP4.14
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.09
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63894639
(5-bromofuran-2-yl)-(2-methylphenyl)methanol
CID 63895016
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 80535506
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011
(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 81437311
(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 66424632
(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796079
(5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107477162
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol (CID 63893476) is (5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol is OC(c1ccc(Br)o1)c1ccccc1C(F)(F)F.
What is the InChIKey of (5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is FJVNIBNMZKNHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3O2/c13-10-6-5-9(18-10)11(17)7-3-1-2-4-8(7)12(14,15)16/h1-6,11,17H.
What are the key properties of (5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
(5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 321.09 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 63893476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).