4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene

C8H3BrF4 — CID 139748695

IUPAC4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene
SMILESFC(F)=C(F)c1ccc(Br)cc1F
InChIInChI=1S/C8H3BrF4/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3H
InChIKeyWAOQWQBQCJOHSQ-UHFFFAOYSA-N
MW255.01 g/mol
LogP4.12
Rot. Bonds1

About 4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene

4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene (PubChem CID 139748695) has the molecular formula C8H3BrF4 and a molecular weight of 255.01 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene
PubChem CID139748695
Molecular FormulaC8H3BrF4
Molecular Weight255.01 g/mol
Exact Mass253.94
IUPAC Name4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene
SMILESFC(F)=C(F)c1ccc(Br)cc1F
InChIInChI=1S/C8H3BrF4/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3H
InChIKeyWAOQWQBQCJOHSQ-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.01
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
CID 130137043
5-bromo-1,3-difluoro-2-(1,2,2-trifluoroethenyl)benzene
CID 18935729
N'-amino-4-bromo-2-fluorobenzenecarboximidamide
CID 61361560
4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene
CID 89112423
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one
CID 148880045
1-(4-bromo-2-fluorophenyl)pent-3-yn-1-one
CID 114905951
3-(4-bromo-2-fluorophenyl)-3-oxopropanal
CID 82967650
4-bromo-1,2-difluorobenzene;dihydrofluoride
CID 174492303
2,3-dibromo-1-(4-bromo-2-fluorophenyl)propan-1-one
CID 130137047
4-bromo-2-fluorobenzenesulfinic acid
CID 50998727
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene?
The IUPAC name of 4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene (CID 139748695) is 4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene is FC(F)=C(F)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene?
The InChIKey is WAOQWQBQCJOHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF4/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3H.
What are the key properties of 4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene?
4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene has a molecular weight of 255.01 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene is sourced from PubChem (CID 139748695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).