(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol

C12H7Br2F3O2 — CID 63894639

IUPAC(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(Br)c(Br)o1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H7Br2F3O2/c13-8-5-9(19-11(8)14)10(18)6-3-1-2-4-7(6)12(15,16)17/h1-5,10,18H
InChIKeyUNPZZBPVDMPSNK-UHFFFAOYSA-N
MW399.99 g/mol
LogP4.91
Rot. Bonds2

About (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol

(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 63894639) has the molecular formula C12H7Br2F3O2 and a molecular weight of 399.99 g/mol. Its IUPAC name is (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID63894639
Molecular FormulaC12H7Br2F3O2
Molecular Weight399.99 g/mol
Exact Mass397.88
IUPAC Name(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(Br)c(Br)o1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H7Br2F3O2/c13-8-5-9(19-11(8)14)10(18)6-3-1-2-4-7(6)12(15,16)17/h1-5,10,18H
InChIKeyUNPZZBPVDMPSNK-UHFFFAOYSA-N
XLogP4.91
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.99
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63893476
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 81437311
(4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 80535506
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011
(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 66424632
(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796079
(4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol
CID 63893868
(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 61101273
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 62801811
(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707279

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol (CID 63894639) is (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol is OC(c1cc(Br)c(Br)o1)c1ccccc1C(F)(F)F.
What is the InChIKey of (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is UNPZZBPVDMPSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2F3O2/c13-8-5-9(19-11(8)14)10(18)6-3-1-2-4-7(6)12(15,16)17/h1-5,10,18H.
What are the key properties of (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 399.99 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 63894639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).