1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene

C14H7Br2F5 — CID 107333370

IUPAC1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene
SMILESFc1ccc(C(Br)c2ccc(Br)cc2C(F)(F)F)c(F)c1
InChIInChI=1S/C14H7Br2F5/c15-7-1-3-9(11(5-7)14(19,20)21)13(16)10-4-2-8(17)6-12(10)18/h1-6,13H
InChIKeyNCUMUSYUOMBEMC-UHFFFAOYSA-N
MW430.01 g/mol
LogP6.23
Rot. Bonds2

About 1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene

1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene (PubChem CID 107333370) has the molecular formula C14H7Br2F5 and a molecular weight of 430.01 g/mol. Its IUPAC name is 1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene
PubChem CID107333370
Molecular FormulaC14H7Br2F5
Molecular Weight430.01 g/mol
Exact Mass427.88
IUPAC Name1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene
SMILESFc1ccc(C(Br)c2ccc(Br)cc2C(F)(F)F)c(F)c1
InChIInChI=1S/C14H7Br2F5/c15-7-1-3-9(11(5-7)14(19,20)21)13(16)10-4-2-8(17)6-12(10)18/h1-6,13H
InChIKeyNCUMUSYUOMBEMC-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.01
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene
CID 107333360
1-bromo-2-[bromo-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63442403
[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol
CID 62789466
2,5-dibromo-3-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]thiophene
CID 107333377
4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
CID 107333503
4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene
CID 164893029
3-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,5-dichlorothiophene
CID 107333376
1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene
CID 79590922
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65434153
[4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine
CID 79697276

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene?
The IUPAC name of 1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene (CID 107333370) is 1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene is Fc1ccc(C(Br)c2ccc(Br)cc2C(F)(F)F)c(F)c1.
What is the InChIKey of 1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene?
The InChIKey is NCUMUSYUOMBEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2F5/c15-7-1-3-9(11(5-7)14(19,20)21)13(16)10-4-2-8(17)6-12(10)18/h1-6,13H.
What are the key properties of 1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene?
1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene has a molecular weight of 430.01 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene is sourced from PubChem (CID 107333370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).