2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene

C14H9BrClF3 — CID 134619443

IUPAC2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2ccc(Cl)cc2CBr)cc1
InChIInChI=1S/C14H9BrClF3/c15-8-10-7-12(16)5-6-13(10)9-1-3-11(4-2-9)14(17,18)19/h1-7H,8H2
InChIKeyAZLGHSLCJHKMMF-UHFFFAOYSA-N
MW349.58 g/mol
LogP5.92
Rot. Bonds2

About 2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene

2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 134619443) has the molecular formula C14H9BrClF3 and a molecular weight of 349.58 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene
PubChem CID134619443
Molecular FormulaC14H9BrClF3
Molecular Weight349.58 g/mol
Exact Mass347.95
IUPAC Name2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2ccc(Cl)cc2CBr)cc1
InChIInChI=1S/C14H9BrClF3/c15-8-10-7-12(16)5-6-13(10)9-1-3-11(4-2-9)14(17,18)19/h1-7H,8H2
InChIKeyAZLGHSLCJHKMMF-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.58
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene (CID 134619443) is 2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccc(-c2ccc(Cl)cc2CBr)cc1.
What is the InChIKey of 2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is AZLGHSLCJHKMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3/c15-8-10-7-12(16)5-6-13(10)9-1-3-11(4-2-9)14(17,18)19/h1-7H,8H2.
What are the key properties of 2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene?
2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 349.58 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134619443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).