2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol

C8H8Br2FNO — CID 130822566

IUPAC2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol
SMILESN[C@H](CF)c1c(Br)ccc(Br)c1O
InChIInChI=1S/C8H8Br2FNO/c9-4-1-2-5(10)8(13)7(4)6(12)3-11/h1-2,6,13H,3,12H2/t6-/m1/s1
InChIKeyQDEZHVGVMGLPLB-ZCFIWIBFSA-N
MW312.96 g/mol
LogP2.89
Rot. Bonds2

About 2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol

2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol (PubChem CID 130822566) has the molecular formula C8H8Br2FNO and a molecular weight of 312.96 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol
PubChem CID130822566
Molecular FormulaC8H8Br2FNO
Molecular Weight312.96 g/mol
Exact Mass310.90
IUPAC Name2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol
SMILESN[C@H](CF)c1c(Br)ccc(Br)c1O
InChIInChI=1S/C8H8Br2FNO/c9-4-1-2-5(10)8(13)7(4)6(12)3-11/h1-2,6,13H,3,12H2/t6-/m1/s1
InChIKeyQDEZHVGVMGLPLB-ZCFIWIBFSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.96
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-amino-2-fluoroethyl]-6-bromo-3-fluorophenol
CID 130934021
2-[(1S)-1-amino-2-fluoroethyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171256337
2-[(1S)-1-aminobutyl]-3,6-dibromophenol;hydrochloride
CID 171253320
2-[(1S)-1-amino-3-hydroxypropyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253035
2-[(1R)-1-aminobutyl]-3-bromo-6-fluorophenol
CID 130647359
2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol
CID 84803050
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol
CID 130950779
2-[(1R)-1-amino-3-methylbutyl]-6-bromo-3-fluorophenol;hydrochloride
CID 171256863
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol
CID 131117949
2-[(S)-amino(cyclopentyl)methyl]-3,6-dibromophenol
CID 131500799
ethyl (3S)-3-amino-3-(3,6-dibromo-2-hydroxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171256673
6-amino-2-[(1S)-1-aminobutyl]-3-bromophenol;hydrochloride
CID 171253086

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol?
The IUPAC name of 2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol (CID 130822566) is 2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol?
The canonical SMILES for 2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol is N[C@H](CF)c1c(Br)ccc(Br)c1O.
What is the InChIKey of 2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol?
The InChIKey is QDEZHVGVMGLPLB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8Br2FNO/c9-4-1-2-5(10)8(13)7(4)6(12)3-11/h1-2,6,13H,3,12H2/t6-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol?
2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol has a molecular weight of 312.96 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol is sourced from PubChem (CID 130822566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).