4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde

C10H7BrF2O — CID 169475773

IUPAC4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(C=CCBr)cc1F
InChIInChI=1S/C10H7BrF2O/c11-3-1-2-7-4-10(13)8(6-14)5-9(7)12/h1-2,4-6H,3H2
InChIKeyVVWFGNYDTSJOAQ-UHFFFAOYSA-N
MW261.07 g/mol
LogP3.19
Rot. Bonds3

About 4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde

4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde (PubChem CID 169475773) has the molecular formula C10H7BrF2O and a molecular weight of 261.07 g/mol. Its IUPAC name is 4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde
PubChem CID169475773
Molecular FormulaC10H7BrF2O
Molecular Weight261.07 g/mol
Exact Mass259.96
IUPAC Name4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(C=CCBr)cc1F
InChIInChI=1S/C10H7BrF2O/c11-3-1-2-7-4-10(13)8(6-14)5-9(7)12/h1-2,4-6H,3H2
InChIKeyVVWFGNYDTSJOAQ-UHFFFAOYSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-bromobut-1-enyl)-2,5-difluorobenzaldehyde
CID 170497757
2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde
CID 169475353
4,6-difluorobenzene-1,3-dicarbaldehyde
CID 11030259
2-(3-bromoprop-1-enyl)-4,5-difluorophenol
CID 169475416
(E)-4-(2,4,5-trifluorophenyl)but-3-enal
CID 118296236
2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine
CID 169476766
3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde
CID 169475387
N-[4-(2,5-difluoro-4-formylphenyl)but-3-enyl]acetamide
CID 170488999
4-(3-bromoprop-1-enyl)-5-fluoro-2-nitrobenzoic acid
CID 169476351
1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene
CID 169475772
2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline
CID 169475530
2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene
CID 169476658

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde?
The IUPAC name of 4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde (CID 169475773) is 4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde.
What is the SMILES notation for 4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde?
The canonical SMILES for 4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde is O=Cc1cc(F)c(C=CCBr)cc1F.
What is the InChIKey of 4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde?
The InChIKey is VVWFGNYDTSJOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2O/c11-3-1-2-7-4-10(13)8(6-14)5-9(7)12/h1-2,4-6H,3H2.
What are the key properties of 4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde?
4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde has a molecular weight of 261.07 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde is sourced from PubChem (CID 169475773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).