4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene

C9H5BrClF — CID 89112423

IUPAC4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene
SMILESC=C=C(Cl)c1ccc(Br)cc1F
InChIInChI=1S/C9H5BrClF/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5H,1H2
InChIKeyIJXKXNOQCYCURF-UHFFFAOYSA-N
MW247.49 g/mol
LogP3.95
Rot. Bonds1

About 4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene

4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene (PubChem CID 89112423) has the molecular formula C9H5BrClF and a molecular weight of 247.49 g/mol. Its IUPAC name is 4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene
PubChem CID89112423
Molecular FormulaC9H5BrClF
Molecular Weight247.49 g/mol
Exact Mass245.92
IUPAC Name4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene
SMILESC=C=C(Cl)c1ccc(Br)cc1F
InChIInChI=1S/C9H5BrClF/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5H,1H2
InChIKeyIJXKXNOQCYCURF-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene
CID 139748695
2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
CID 130137043
1-(4-bromo-2-fluorophenyl)-2-chloro-2-(4-fluorophenyl)ethanone
CID 81242883
(NZ,1Z)-4-bromo-N-[chloro-(3,5-difluorophenyl)methylidene]-2-fluorobenzenecarbohydrazonoyl chloride
CID 170665135
N'-amino-4-bromo-2-fluorobenzenecarboximidamide
CID 61361560
2-[(4-bromo-2-fluorophenyl)-chloromethylidene]pentanenitrile
CID 79405964
5-bromo-2-fluorobenzenecarbothioyl chloride
CID 135378967
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one
CID 148880045
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
(E)-3-[[(E)-2-(4-bromo-2-fluorophenyl)prop-1-enyl]amino]-2-methylprop-2-en-1-ol
CID 129134958
1-(4-bromo-2-fluorophenyl)pent-3-yn-1-one
CID 114905951

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene?
The IUPAC name of 4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene (CID 89112423) is 4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene is C=C=C(Cl)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene?
The InChIKey is IJXKXNOQCYCURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClF/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5H,1H2.
What are the key properties of 4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene?
4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene has a molecular weight of 247.49 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(1-chloropropa-1,2-dienyl)-2-fluorobenzene is sourced from PubChem (CID 89112423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).