6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol

C14H7Br2Cl2F3O — CID 170759578

IUPAC6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol
SMILESOc1c(Br)cc(Cl)c(CBr)c1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H7Br2Cl2F3O/c15-5-7-11(18)4-9(16)13(22)12(7)6-1-2-10(17)8(3-6)14(19,20)21/h1-4,22H,5H2
InChIKeyOPEMNKWNJKMZTF-UHFFFAOYSA-N
MW478.92 g/mol
LogP7.04
Rot. Bonds2

About 6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol

6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol (PubChem CID 170759578) has the molecular formula C14H7Br2Cl2F3O and a molecular weight of 478.92 g/mol. Its IUPAC name is 6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol
PubChem CID170759578
Molecular FormulaC14H7Br2Cl2F3O
Molecular Weight478.92 g/mol
Exact Mass475.82
IUPAC Name6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol
SMILESOc1c(Br)cc(Cl)c(CBr)c1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H7Br2Cl2F3O/c15-5-7-11(18)4-9(16)13(22)12(7)6-1-2-10(17)8(3-6)14(19,20)21/h1-4,22H,5H2
InChIKeyOPEMNKWNJKMZTF-UHFFFAOYSA-N
XLogP7.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.92
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde
CID 170759596
1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone
CID 170759695
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine
CID 620912
2-(bromomethyl)-3-chloro-6-(trifluoromethyl)aniline
CID 118998697
2-amino-5-[4-chloro-3-(trifluoromethyl)phenyl]benzoic acid
CID 23005098
1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene
CID 66252198
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
3-(4-bromophenyl)-5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 154270745
[5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol
CID 146438032
5-amino-4-[4-bromo-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)thiophen-3-ol
CID 54436868

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol (CID 170759578) is 6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol is Oc1c(Br)cc(Cl)c(CBr)c1-c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol?
The InChIKey is OPEMNKWNJKMZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2Cl2F3O/c15-5-7-11(18)4-9(16)13(22)12(7)6-1-2-10(17)8(3-6)14(19,20)21/h1-4,22H,5H2.
What are the key properties of 6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol?
6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol has a molecular weight of 478.92 g/mol, XLogP of 7.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(bromomethyl)-4-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 170759578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).