2-bromo-4-chloro-1-(difluoromethyl)benzene

C7H4BrClF2 — CID 66744942

IUPAC2-bromo-4-chloro-1-(difluoromethyl)benzene
SMILESFC(F)c1ccc(Cl)cc1Br
InChIInChI=1S/C7H4BrClF2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,7H
InChIKeyZNEQJQZXIMENQW-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.04
Rot. Bonds1

About 2-bromo-4-chloro-1-(difluoromethyl)benzene

2-bromo-4-chloro-1-(difluoromethyl)benzene (PubChem CID 66744942) has the molecular formula C7H4BrClF2 and a molecular weight of 241.46 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-(difluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-(difluoromethyl)benzene
PubChem CID66744942
Molecular FormulaC7H4BrClF2
Molecular Weight241.46 g/mol
Exact Mass239.92
IUPAC Name2-bromo-4-chloro-1-(difluoromethyl)benzene
SMILESFC(F)c1ccc(Cl)cc1Br
InChIInChI=1S/C7H4BrClF2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,7H
InChIKeyZNEQJQZXIMENQW-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-(difluoromethyl)benzene?
The IUPAC name of 2-bromo-4-chloro-1-(difluoromethyl)benzene (CID 66744942) is 2-bromo-4-chloro-1-(difluoromethyl)benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-(difluoromethyl)benzene?
The canonical SMILES for 2-bromo-4-chloro-1-(difluoromethyl)benzene is FC(F)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-(difluoromethyl)benzene?
The InChIKey is ZNEQJQZXIMENQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,7H.
What are the key properties of 2-bromo-4-chloro-1-(difluoromethyl)benzene?
2-bromo-4-chloro-1-(difluoromethyl)benzene has a molecular weight of 241.46 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-(difluoromethyl)benzene is sourced from PubChem (CID 66744942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).