1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene

C14H8BrCl2F3 — CID 134629422

IUPAC1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene
SMILESFC(F)(F)c1ccc(CBr)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8BrCl2F3/c15-7-8-1-4-12(14(18,19)20)11(5-8)10-3-2-9(16)6-13(10)17/h1-6H,7H2
InChIKeyYPIUDDOKLNVKOL-UHFFFAOYSA-N
MW384.02 g/mol
LogP6.57
Rot. Bonds2

About 1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene

1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene (PubChem CID 134629422) has the molecular formula C14H8BrCl2F3 and a molecular weight of 384.02 g/mol. Its IUPAC name is 1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene
PubChem CID134629422
Molecular FormulaC14H8BrCl2F3
Molecular Weight384.02 g/mol
Exact Mass381.91
IUPAC Name1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene
SMILESFC(F)(F)c1ccc(CBr)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8BrCl2F3/c15-7-8-1-4-12(14(18,19)20)11(5-8)10-3-2-9(16)6-13(10)17/h1-6H,7H2
InChIKeyYPIUDDOKLNVKOL-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.02
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
CID 23512765
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene
CID 119002255
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134629579
5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene
CID 134628714
2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine
CID 118847434
1-[3-(bromomethyl)-4-(trifluoromethyl)phenyl]-2,4,5-trichlorobenzene
CID 134625583
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
CID 69435849
CID 69435849

Frequently Asked Questions

What is the IUPAC name of 1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene (CID 134629422) is 1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene is FC(F)(F)c1ccc(CBr)cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene?
The InChIKey is YPIUDDOKLNVKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2F3/c15-7-8-1-4-12(14(18,19)20)11(5-8)10-3-2-9(16)6-13(10)17/h1-6H,7H2.
What are the key properties of 1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene?
1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene has a molecular weight of 384.02 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene is sourced from PubChem (CID 134629422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).