1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene

C7H2BrF5 — CID 22566588

IUPAC1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)c(F)cc1Br
InChIInChI=1S/C7H2BrF5/c8-4-2-5(9)3(1-6(4)10)7(11,12)13/h1-2H
InChIKeyFRNCYVHNJMSHKX-UHFFFAOYSA-N
MW260.99 g/mol
LogP3.75
Rot. Bonds

About 1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene

1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene (PubChem CID 22566588) has the molecular formula C7H2BrF5 and a molecular weight of 260.99 g/mol. Its IUPAC name is 1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene
PubChem CID22566588
Molecular FormulaC7H2BrF5
Molecular Weight260.99 g/mol
Exact Mass259.93
IUPAC Name1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)c(F)cc1Br
InChIInChI=1S/C7H2BrF5/c8-4-2-5(9)3(1-6(4)10)7(11,12)13/h1-2H
InChIKeyFRNCYVHNJMSHKX-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.99
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene (CID 22566588) is 1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene is Fc1cc(C(F)(F)F)c(F)cc1Br.
What is the InChIKey of 1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene?
The InChIKey is FRNCYVHNJMSHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF5/c8-4-2-5(9)3(1-6(4)10)7(11,12)13/h1-2H.
What are the key properties of 1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene?
1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene has a molecular weight of 260.99 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 22566588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).