4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol

C8H7Br2F2NO — CID 131086526

IUPAC4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol
SMILESN[C@@H](c1cc(Br)c(O)c(Br)c1)C(F)F
InChIInChI=1S/C8H7Br2F2NO/c9-4-1-3(6(13)8(11)12)2-5(10)7(4)14/h1-2,6,8,14H,13H2/t6-/m0/s1
InChIKeyQCNJQAZYUMATFT-LURJTMIESA-N
MW330.95 g/mol
LogP3.18
Rot. Bonds2

About 4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol

4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol (PubChem CID 131086526) has the molecular formula C8H7Br2F2NO and a molecular weight of 330.95 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol
PubChem CID131086526
Molecular FormulaC8H7Br2F2NO
Molecular Weight330.95 g/mol
Exact Mass328.89
IUPAC Name4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol
SMILESN[C@@H](c1cc(Br)c(O)c(Br)c1)C(F)F
InChIInChI=1S/C8H7Br2F2NO/c9-4-1-3(6(13)8(11)12)2-5(10)7(4)14/h1-2,6,8,14H,13H2/t6-/m0/s1
InChIKeyQCNJQAZYUMATFT-LURJTMIESA-N
XLogP3.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.95
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol 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-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol
CID 130062366
4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol
CID 171261172
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171266843
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171261157
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2,6-dibromophenol
CID 66510459
5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol
CID 130642566
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dimethylphenol
CID 130606712
3-bromo-5-(difluoromethyl)benzene-1,2-diol
CID 84700981
3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride
CID 171245096
4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
CID 171246271
2-[amino-(3,5-dibromo-4-hydroxyphenyl)methyl]butanoic acid
CID 22608415
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2,6-dibromophenol;hydrochloride
CID 171219523

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol?
The IUPAC name of 4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol (CID 131086526) is 4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol.
What is the SMILES notation for 4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol?
The canonical SMILES for 4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol is N[C@@H](c1cc(Br)c(O)c(Br)c1)C(F)F.
What is the InChIKey of 4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol?
The InChIKey is QCNJQAZYUMATFT-LURJTMIESA-N. The full InChI is InChI=1S/C8H7Br2F2NO/c9-4-1-3(6(13)8(11)12)2-5(10)7(4)14/h1-2,6,8,14H,13H2/t6-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol?
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol has a molecular weight of 330.95 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol is sourced from PubChem (CID 131086526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).