4-(3-bromoprop-1-enyl)-1,2-difluorobenzene

C9H7BrF2 — CID 4997890

IUPAC4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
SMILESFc1ccc(C=CCBr)cc1F
InChIInChI=1S/C9H7BrF2/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6H,5H2
InChIKeyYDOLYRGUEPNXJD-UHFFFAOYSA-N
MW233.06 g/mol
LogP3.37
Rot. Bonds2

About 4-(3-bromoprop-1-enyl)-1,2-difluorobenzene

4-(3-bromoprop-1-enyl)-1,2-difluorobenzene (PubChem CID 4997890) has the molecular formula C9H7BrF2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 4-(3-bromoprop-1-enyl)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
PubChem CID4997890
Molecular FormulaC9H7BrF2
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
SMILESFc1ccc(C=CCBr)cc1F
InChIInChI=1S/C9H7BrF2/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6H,5H2
InChIKeyYDOLYRGUEPNXJD-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene
CID 81440266
3-(3,4-difluorophenyl)-N-ethylprop-2-en-1-amine
CID 79347465
4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene
CID 79324340
5-(3-bromoprop-1-enyl)-2,3-difluorophenol
CID 169475415
3-(3-bromoprop-1-enyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 169475031
5-(3-bromoprop-1-enyl)-2-fluoropyridine
CID 169474982
4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene
CID 170497026
1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene
CID 169476528
2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene
CID 169475296
3-(3-bromoprop-1-enyl)phenanthrene-9,10-dione
CID 169476439
1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene
CID 54321123
5-(3-bromoprop-1-enyl)-2-chlorophenol
CID 169475092

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoprop-1-enyl)-1,2-difluorobenzene?
The IUPAC name of 4-(3-bromoprop-1-enyl)-1,2-difluorobenzene (CID 4997890) is 4-(3-bromoprop-1-enyl)-1,2-difluorobenzene.
What is the SMILES notation for 4-(3-bromoprop-1-enyl)-1,2-difluorobenzene?
The canonical SMILES for 4-(3-bromoprop-1-enyl)-1,2-difluorobenzene is Fc1ccc(C=CCBr)cc1F.
What is the InChIKey of 4-(3-bromoprop-1-enyl)-1,2-difluorobenzene?
The InChIKey is YDOLYRGUEPNXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6H,5H2.
What are the key properties of 4-(3-bromoprop-1-enyl)-1,2-difluorobenzene?
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene has a molecular weight of 233.06 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoprop-1-enyl)-1,2-difluorobenzene is sourced from PubChem (CID 4997890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).