6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol

C9H9BrFNO — CID 130894325

IUPAC6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol
SMILESC=C[C@@H](N)c1ccc(F)c(Br)c1O
InChIInChI=1S/C9H9BrFNO/c1-2-7(12)5-3-4-6(11)8(10)9(5)13/h2-4,7,13H,1,12H2/t7-/m1/s1
InChIKeyRMBAPLHUUUKKLX-SSDOTTSWSA-N
MW246.08 g/mol
LogP2.48
Rot. Bonds2

About 6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol

6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol (PubChem CID 130894325) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol.

Molecular Properties

Compound Name6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol
PubChem CID130894325
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol
SMILESC=C[C@@H](N)c1ccc(F)c(Br)c1O
InChIInChI=1S/C9H9BrFNO/c1-2-7(12)5-3-4-6(11)8(10)9(5)13/h2-4,7,13H,1,12H2/t7-/m1/s1
InChIKeyRMBAPLHUUUKKLX-SSDOTTSWSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[(1S)-1-aminoprop-2-enyl]-2,3-difluorophenol;hydrochloride
CID 171253100
6-[(1R)-1-aminobut-3-enyl]-2-bromo-3-fluorophenol
CID 131211532
6-[(1S)-1-aminobut-3-enyl]-2-bromo-3-fluorophenol
CID 130806138
6-[(1S)-1-aminoethyl]-2-bromo-3-fluorophenol
CID 130614162
6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol
CID 131611189
2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride
CID 171202774
3-[(1S)-1-aminoprop-2-enyl]-2-bromophenol
CID 130682320
3-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130642432
6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride
CID 171256976
1-(2,4-difluorophenyl)prop-2-en-1-amine
CID 55283550
(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051
1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55282989

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol?
The IUPAC name of 6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol (CID 130894325) is 6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol.
What is the SMILES notation for 6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol?
The canonical SMILES for 6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol is C=C[C@@H](N)c1ccc(F)c(Br)c1O.
What is the InChIKey of 6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol?
The InChIKey is RMBAPLHUUUKKLX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-2-7(12)5-3-4-6(11)8(10)9(5)13/h2-4,7,13H,1,12H2/t7-/m1/s1.
What are the key properties of 6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol?
6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol has a molecular weight of 246.08 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol is sourced from PubChem (CID 130894325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).