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

C7H4BrClF2 — CID 22240280

IUPAC4-bromo-1-chloro-2-(difluoromethyl)benzene
SMILESFC(F)c1cc(Br)ccc1Cl
InChIInChI=1S/C7H4BrClF2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7H
InChIKeySLTHMVITKJWPRP-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.04
Rot. Bonds1

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

4-bromo-1-chloro-2-(difluoromethyl)benzene (PubChem CID 22240280) has the molecular formula C7H4BrClF2 and a molecular weight of 241.46 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-(difluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-(difluoromethyl)benzene
PubChem CID22240280
Molecular FormulaC7H4BrClF2
Molecular Weight241.46 g/mol
Exact Mass239.92
IUPAC Name4-bromo-1-chloro-2-(difluoromethyl)benzene
SMILESFC(F)c1cc(Br)ccc1Cl
InChIInChI=1S/C7H4BrClF2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7H
InChIKeySLTHMVITKJWPRP-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 4-bromo-1-chloro-2-(difluoromethyl)benzene?
The IUPAC name of 4-bromo-1-chloro-2-(difluoromethyl)benzene (CID 22240280) is 4-bromo-1-chloro-2-(difluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-(difluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-chloro-2-(difluoromethyl)benzene is FC(F)c1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-(difluoromethyl)benzene?
The InChIKey is SLTHMVITKJWPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7H.
What are the key properties of 4-bromo-1-chloro-2-(difluoromethyl)benzene?
4-bromo-1-chloro-2-(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 4-bromo-1-chloro-2-(difluoromethyl)benzene is sourced from PubChem (CID 22240280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).