1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene

C14H8BrCl2F3 — CID 134625577

IUPAC1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(CBr)cc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H8BrCl2F3/c15-7-8-4-9(6-10(5-8)14(18,19)20)11-2-1-3-12(16)13(11)17/h1-6H,7H2
InChIKeyCXYQIYHYRGNKSP-UHFFFAOYSA-N
MW384.02 g/mol
LogP6.57
Rot. Bonds2

About 1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene

1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene (PubChem CID 134625577) has the molecular formula C14H8BrCl2F3 and a molecular weight of 384.02 g/mol. Its IUPAC name is 1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene
PubChem CID134625577
Molecular FormulaC14H8BrCl2F3
Molecular Weight384.02 g/mol
Exact Mass381.91
IUPAC Name1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(CBr)cc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H8BrCl2F3/c15-7-8-4-9(6-10(5-8)14(18,19)20)11-2-1-3-12(16)13(11)17/h1-6H,7H2
InChIKeyCXYQIYHYRGNKSP-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

1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene
CID 3714672
1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene;hydrobromide
CID 162568084
1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene
CID 134629417
1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene
CID 67396310
[3-(2,3-dichlorophenyl)-5-fluorophenyl]methanamine
CID 134631435
1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
CID 134622327
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform
CID 156612938
1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 118815271
3-(3-chloro-2-fluorophenyl)-5-(trifluoromethyl)aniline
CID 171392137
1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
CID 134626452
1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene
CID 134617667
1,3-bis[3,5-bis(trifluoromethyl)phenyl]-2-methylbenzene
CID 163637967

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene?
The IUPAC name of 1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene (CID 134625577) is 1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene is FC(F)(F)c1cc(CBr)cc(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene?
The InChIKey is CXYQIYHYRGNKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2F3/c15-7-8-4-9(6-10(5-8)14(18,19)20)11-2-1-3-12(16)13(11)17/h1-6H,7H2.
What are the key properties of 1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene?
1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene 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-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene is sourced from PubChem (CID 134625577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).