2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene

C7H2BrF5 — CID 2778983

IUPAC2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)cc(F)c1Br
InChIInChI=1S/C7H2BrF5/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H
InChIKeyMJDJSTBBLBVDDK-UHFFFAOYSA-N
MW260.99 g/mol
LogP3.75
Rot. Bonds

About 2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene

2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene (PubChem CID 2778983) has the molecular formula C7H2BrF5 and a molecular weight of 260.99 g/mol. Its IUPAC name is 2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene
PubChem CID2778983
Molecular FormulaC7H2BrF5
Molecular Weight260.99 g/mol
Exact Mass259.93
IUPAC Name2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)cc(F)c1Br
InChIInChI=1S/C7H2BrF5/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H
InChIKeyMJDJSTBBLBVDDK-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_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-fluoro-5-(trifluoromethyl)phenol
CID 130923632
2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan
CID 168526241
(E)-3-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 171000123
bis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene
CID 11406632
3-fluoro-2-methyl-5-(trifluoromethyl)phenol
CID 164891329
2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
CID 169337177
2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene
CID 171009202
2-[2-bromo-6-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 171367229
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
2-bromo-5-chloro-1,3-difluorobenzene
CID 2761407
2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
CID 169337204

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene?
The IUPAC name of 2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene (CID 2778983) is 2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene?
The canonical SMILES for 2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene is Fc1cc(C(F)(F)F)cc(F)c1Br.
What is the InChIKey of 2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene?
The InChIKey is MJDJSTBBLBVDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF5/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H.
What are the key properties of 2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene?
2-bromo-1,3-difluoro-5-(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 2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 2778983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).