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

C8H5BrF2 — CID 22913822

IUPAC1-bromo-4-(2,2-difluoroethenyl)benzene
SMILESFC(F)=Cc1ccc(Br)cc1
InChIInChI=1S/C8H5BrF2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-5H
InChIKeyLXJISEJYMAHRKE-UHFFFAOYSA-N
MW219.03 g/mol
LogP3.69
Rot. Bonds1

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

1-bromo-4-(2,2-difluoroethenyl)benzene (PubChem CID 22913822) has the molecular formula C8H5BrF2 and a molecular weight of 219.03 g/mol. Its IUPAC name is 1-bromo-4-(2,2-difluoroethenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2,2-difluoroethenyl)benzene
PubChem CID22913822
Molecular FormulaC8H5BrF2
Molecular Weight219.03 g/mol
Exact Mass217.95
IUPAC Name1-bromo-4-(2,2-difluoroethenyl)benzene
SMILESFC(F)=Cc1ccc(Br)cc1
InChIInChI=1S/C8H5BrF2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-5H
InChIKeyLXJISEJYMAHRKE-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.03
LogP ≤ 53.69
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-difluoroethenyl)benzene?
The IUPAC name of 1-bromo-4-(2,2-difluoroethenyl)benzene (CID 22913822) is 1-bromo-4-(2,2-difluoroethenyl)benzene.
What is the SMILES notation for 1-bromo-4-(2,2-difluoroethenyl)benzene?
The canonical SMILES for 1-bromo-4-(2,2-difluoroethenyl)benzene is FC(F)=Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2,2-difluoroethenyl)benzene?
The InChIKey is LXJISEJYMAHRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-5H.
What are the key properties of 1-bromo-4-(2,2-difluoroethenyl)benzene?
1-bromo-4-(2,2-difluoroethenyl)benzene has a molecular weight of 219.03 g/mol, XLogP of 3.69, 1 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-difluoroethenyl)benzene is sourced from PubChem (CID 22913822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).