1-bromo-3-(2,2-difluoroethenyl)benzene

C8H5BrF2 — CID 11356427

IUPAC1-bromo-3-(2,2-difluoroethenyl)benzene
SMILESFC(F)=Cc1cccc(Br)c1
InChIInChI=1S/C8H5BrF2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-5H
InChIKeyBCGPNQGFMONPMI-UHFFFAOYSA-N
MW219.03 g/mol
LogP3.69
Rot. Bonds1

About 1-bromo-3-(2,2-difluoroethenyl)benzene

1-bromo-3-(2,2-difluoroethenyl)benzene (PubChem CID 11356427) has the molecular formula C8H5BrF2 and a molecular weight of 219.03 g/mol. Its IUPAC name is 1-bromo-3-(2,2-difluoroethenyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(2,2-difluoroethenyl)benzene
PubChem CID11356427
Molecular FormulaC8H5BrF2
Molecular Weight219.03 g/mol
Exact Mass217.95
IUPAC Name1-bromo-3-(2,2-difluoroethenyl)benzene
SMILESFC(F)=Cc1cccc(Br)c1
InChIInChI=1S/C8H5BrF2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-5H
InChIKeyBCGPNQGFMONPMI-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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Related Compounds

1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
2-[2-(3-bromophenyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111268
1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene
CID 125476830
3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340471
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
3-bromobenzaldehyde;hydrobromide
CID 87841856
3-bromo-5-(2,2-difluoroethenyl)pyridine
CID 169260385
3-(3-bromophenyl)-2-methoxyprop-2-enoic acid
CID 67763636
(2Z)-2-[(3-bromophenyl)methylidene]butanoic acid
CID 88925191
(2E)-2-[(3-bromophenyl)methylidene]-3,3-dimethylbutanoic acid
CID 67317624
4-[2-(3-bromophenyl)ethenyl]phenol
CID 68626612
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2,2-difluoroethenyl)benzene?
The IUPAC name of 1-bromo-3-(2,2-difluoroethenyl)benzene (CID 11356427) is 1-bromo-3-(2,2-difluoroethenyl)benzene.
What is the SMILES notation for 1-bromo-3-(2,2-difluoroethenyl)benzene?
The canonical SMILES for 1-bromo-3-(2,2-difluoroethenyl)benzene is FC(F)=Cc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2,2-difluoroethenyl)benzene?
The InChIKey is BCGPNQGFMONPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-5H.
What are the key properties of 1-bromo-3-(2,2-difluoroethenyl)benzene?
1-bromo-3-(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-3-(2,2-difluoroethenyl)benzene is sourced from PubChem (CID 11356427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).