(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

C14H8Br2F4O — CID 107292014

IUPAC(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)c(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H8Br2F4O/c15-8-2-4-11(16)9(6-8)13(21)7-1-3-10(12(17)5-7)14(18,19)20/h1-6,13,21H
InChIKeyJJJDKYJLJLGXDH-UHFFFAOYSA-N
MW428.02 g/mol
LogP5.45
Rot. Bonds2

About (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 107292014) has the molecular formula C14H8Br2F4O and a molecular weight of 428.02 g/mol. Its IUPAC name is (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
PubChem CID107292014
Molecular FormulaC14H8Br2F4O
Molecular Weight428.02 g/mol
Exact Mass425.89
IUPAC Name(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)c(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H8Br2F4O/c15-8-2-4-11(16)9(6-8)13(21)7-1-3-10(12(17)5-7)14(18,19)20/h1-6,13,21H
InChIKeyJJJDKYJLJLGXDH-UHFFFAOYSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.02
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)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

(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63426128
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287213
(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 81437311
(4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288463
(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methanol
CID 81447497
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288455
(2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287245
(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287912
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 63426086
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 62688965
3-bromo-1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860512

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (CID 107292014) is (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)c(F)c1)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is JJJDKYJLJLGXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F4O/c15-8-2-4-11(16)9(6-8)13(21)7-1-3-10(12(17)5-7)14(18,19)20/h1-6,13,21H.
What are the key properties of (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 428.02 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107292014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).