1-bromo-4-(2,2-difluoroethyl)benzene

C8H7BrF2 — CID 70825422

IUPAC1-bromo-4-(2,2-difluoroethyl)benzene
SMILESFC(F)Cc1ccc(Br)cc1
InChIInChI=1S/C8H7BrF2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,8H,5H2
InChIKeyZKYYBCSAJYZLDL-UHFFFAOYSA-N
MW221.04 g/mol
LogP3.26
Rot. Bonds2

About 1-bromo-4-(2,2-difluoroethyl)benzene

1-bromo-4-(2,2-difluoroethyl)benzene (PubChem CID 70825422) has the molecular formula C8H7BrF2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 1-bromo-4-(2,2-difluoroethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2,2-difluoroethyl)benzene
PubChem CID70825422
Molecular FormulaC8H7BrF2
Molecular Weight221.04 g/mol
Exact Mass219.97
IUPAC Name1-bromo-4-(2,2-difluoroethyl)benzene
SMILESFC(F)Cc1ccc(Br)cc1
InChIInChI=1S/C8H7BrF2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,8H,5H2
InChIKeyZKYYBCSAJYZLDL-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2,2-difluoroethyl)benzene?
The IUPAC name of 1-bromo-4-(2,2-difluoroethyl)benzene (CID 70825422) is 1-bromo-4-(2,2-difluoroethyl)benzene.
What is the SMILES notation for 1-bromo-4-(2,2-difluoroethyl)benzene?
The canonical SMILES for 1-bromo-4-(2,2-difluoroethyl)benzene is FC(F)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2,2-difluoroethyl)benzene?
The InChIKey is ZKYYBCSAJYZLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,8H,5H2.
What are the key properties of 1-bromo-4-(2,2-difluoroethyl)benzene?
1-bromo-4-(2,2-difluoroethyl)benzene has a molecular weight of 221.04 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2,2-difluoroethyl)benzene is sourced from PubChem (CID 70825422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).