4-bromo-2-(difluoromethyl)-1-fluorobenzene

C7H4BrF3 — CID 2761161

IUPAC4-bromo-2-(difluoromethyl)-1-fluorobenzene
SMILESFc1ccc(Br)cc1C(F)F
InChIInChI=1S/C7H4BrF3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7H
InChIKeyYHQZVEGLXIBPRA-UHFFFAOYSA-N
MW225.01 g/mol
LogP3.53
Rot. Bonds1

About 4-bromo-2-(difluoromethyl)-1-fluorobenzene

4-bromo-2-(difluoromethyl)-1-fluorobenzene (PubChem CID 2761161) has the molecular formula C7H4BrF3 and a molecular weight of 225.01 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-1-fluorobenzene
PubChem CID2761161
Molecular FormulaC7H4BrF3
Molecular Weight225.01 g/mol
Exact Mass223.94
IUPAC Name4-bromo-2-(difluoromethyl)-1-fluorobenzene
SMILESFc1ccc(Br)cc1C(F)F
InChIInChI=1S/C7H4BrF3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7H
InChIKeyYHQZVEGLXIBPRA-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.01
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-1-fluorobenzene?
The IUPAC name of 4-bromo-2-(difluoromethyl)-1-fluorobenzene (CID 2761161) is 4-bromo-2-(difluoromethyl)-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-1-fluorobenzene is Fc1ccc(Br)cc1C(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-1-fluorobenzene?
The InChIKey is YHQZVEGLXIBPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7H.
What are the key properties of 4-bromo-2-(difluoromethyl)-1-fluorobenzene?
4-bromo-2-(difluoromethyl)-1-fluorobenzene has a molecular weight of 225.01 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethyl)-1-fluorobenzene is sourced from PubChem (CID 2761161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).