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

C9H7BrF2O — CID 169475416

IUPAC2-(3-bromoprop-1-enyl)-4,5-difluorophenol
SMILESOc1cc(F)c(F)cc1C=CCBr
InChIInChI=1S/C9H7BrF2O/c10-3-1-2-6-4-7(11)8(12)5-9(6)13/h1-2,4-5,13H,3H2
InChIKeyXBBPPGWZZHNPNF-UHFFFAOYSA-N
MW249.05 g/mol
LogP3.08
Rot. Bonds2

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

2-(3-bromoprop-1-enyl)-4,5-difluorophenol (PubChem CID 169475416) has the molecular formula C9H7BrF2O and a molecular weight of 249.05 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-4,5-difluorophenol.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-4,5-difluorophenol
PubChem CID169475416
Molecular FormulaC9H7BrF2O
Molecular Weight249.05 g/mol
Exact Mass247.96
IUPAC Name2-(3-bromoprop-1-enyl)-4,5-difluorophenol
SMILESOc1cc(F)c(F)cc1C=CCBr
InChIInChI=1S/C9H7BrF2O/c10-3-1-2-6-4-7(11)8(12)5-9(6)13/h1-2,4-5,13H,3H2
InChIKeyXBBPPGWZZHNPNF-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde
CID 169475773
5-(3-bromoprop-1-enyl)-2,3-difluorophenol
CID 169475415
1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene
CID 169475772
S-[4-(4,5-difluoro-2-hydroxyphenyl)but-3-enyl] ethanethioate
CID 170480043
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine
CID 169476766
2-(3-bromoprop-1-enyl)-4-nitrophenol
CID 169475913
2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline
CID 169475530
2,4-dibromo-6-(3-bromoprop-1-enyl)phenol
CID 169476608
2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene
CID 169476658
methyl 4-(3-bromoprop-1-enyl)-3-hydroxybenzoate
CID 169476533
4-(3-bromoprop-1-enyl)-3-methylphenol
CID 169475109

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-enyl)-4,5-difluorophenol?
The IUPAC name of 2-(3-bromoprop-1-enyl)-4,5-difluorophenol (CID 169475416) is 2-(3-bromoprop-1-enyl)-4,5-difluorophenol.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-4,5-difluorophenol?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-4,5-difluorophenol is Oc1cc(F)c(F)cc1C=CCBr.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-4,5-difluorophenol?
The InChIKey is XBBPPGWZZHNPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O/c10-3-1-2-6-4-7(11)8(12)5-9(6)13/h1-2,4-5,13H,3H2.
What are the key properties of 2-(3-bromoprop-1-enyl)-4,5-difluorophenol?
2-(3-bromoprop-1-enyl)-4,5-difluorophenol has a molecular weight of 249.05 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-1-enyl)-4,5-difluorophenol is sourced from PubChem (CID 169475416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).