(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol

C13H7BrClF3O — CID 61087673

IUPAC(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1cc(Br)ccc1Cl)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H7BrClF3O/c14-6-1-2-9(15)8(3-6)13(19)12-10(17)4-7(16)5-11(12)18/h1-5,13,19H
InChIKeyJRDMOFHYSISWBI-UHFFFAOYSA-N
MW351.55 g/mol
LogP4.60
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol

(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol (PubChem CID 61087673) has the molecular formula C13H7BrClF3O and a molecular weight of 351.55 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
PubChem CID61087673
Molecular FormulaC13H7BrClF3O
Molecular Weight351.55 g/mol
Exact Mass349.93
IUPAC Name(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1cc(Br)ccc1Cl)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H7BrClF3O/c14-6-1-2-9(15)8(3-6)13(19)12-10(17)4-7(16)5-11(12)18/h1-5,13,19H
InChIKeyJRDMOFHYSISWBI-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089370
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089185
(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol
CID 61087730
(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836655
(5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol
CID 79743340
(2,5-dichlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879574
(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105393805
1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 115796560
(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807083
(5-chloro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 82883112
1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894369

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol (CID 61087673) is (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol is OC(c1cc(Br)ccc1Cl)c1c(F)cc(F)cc1F.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol?
The InChIKey is JRDMOFHYSISWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3O/c14-6-1-2-9(15)8(3-6)13(19)12-10(17)4-7(16)5-11(12)18/h1-5,13,19H.
What are the key properties of (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol?
(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol has a molecular weight of 351.55 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol is sourced from PubChem (CID 61087673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).