(3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol

C12H8BrF3O3 — CID 63943204

IUPAC(3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1occc1Br
InChIInChI=1S/C12H8BrF3O3/c13-9-5-6-18-11(9)10(17)7-1-3-8(4-2-7)19-12(14,15)16/h1-6,10,17H
InChIKeyHVDFZURHVHFYQK-UHFFFAOYSA-N
MW337.09 g/mol
LogP4.02
Rot. Bonds3

About (3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol

(3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol (PubChem CID 63943204) has the molecular formula C12H8BrF3O3 and a molecular weight of 337.09 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
PubChem CID63943204
Molecular FormulaC12H8BrF3O3
Molecular Weight337.09 g/mol
Exact Mass335.96
IUPAC Name(3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1occc1Br
InChIInChI=1S/C12H8BrF3O3/c13-9-5-6-18-11(9)10(17)7-1-3-8(4-2-7)19-12(14,15)16/h1-6,10,17H
InChIKeyHVDFZURHVHFYQK-UHFFFAOYSA-N
XLogP4.02
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.09
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63949975
(3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol
CID 63942028
(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
(3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 63944186
(5-bromo-2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 79721941
(3-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 104823083
(2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63893221
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63893402
(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63963696
(3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 106886320
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
CID 171247817

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol (CID 63943204) is (3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol is OC(c1ccc(OC(F)(F)F)cc1)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is HVDFZURHVHFYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3O3/c13-9-5-6-18-11(9)10(17)7-1-3-8(4-2-7)19-12(14,15)16/h1-6,10,17H.
What are the key properties of (3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
(3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 337.09 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 63943204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).