2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol

C9H10BrF2NO — CID 131326397

IUPAC2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol
SMILESN[C@H](CC(F)F)c1cccc(Br)c1O
InChIInChI=1S/C9H10BrF2NO/c10-6-3-1-2-5(9(6)14)7(13)4-8(11)12/h1-3,7-8,14H,4,13H2/t7-/m1/s1
InChIKeyDKCJPLFVHHLAHD-SSDOTTSWSA-N
MW266.08 g/mol
LogP2.81
Rot. Bonds3

About 2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol

2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol (PubChem CID 131326397) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol
PubChem CID131326397
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol
SMILESN[C@H](CC(F)F)c1cccc(Br)c1O
InChIInChI=1S/C9H10BrF2NO/c10-6-3-1-2-5(9(6)14)7(13)4-8(11)12/h1-3,7-8,14H,4,13H2/t7-/m1/s1
InChIKeyDKCJPLFVHHLAHD-SSDOTTSWSA-N
XLogP2.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol 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

2-bromo-6-[(1R)-1,3-diaminopropyl]phenol
CID 130869295
2-[(1S)-1-amino-2,2-difluoroethyl]-6-bromophenol
CID 131151173
2-[(1R,2S)-1-amino-2-hydroxy-3,3-dimethylbutyl]-6-bromophenol
CID 171261889
2-[(1R)-1-aminohexyl]-6-bromophenol;hydrochloride
CID 171202780
3-[(1R)-1-amino-2-fluoroethyl]benzene-1,2-diol
CID 131172415
(1R)-1-(2-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171313620
(1S)-1-(2-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312989
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-bromophenol
CID 171311558
2-bromo-6-[(1R)-1-cyclopropylethyl]phenol
CID 118899018
(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313008
3-[(1S)-1-amino-3-methylbutyl]benzene-1,2-diol;hydrochloride
CID 171220532
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]-6-bromophenol;hydrochloride
CID 171311559

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol?
The IUPAC name of 2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol (CID 131326397) is 2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol.
What is the SMILES notation for 2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol?
The canonical SMILES for 2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol is N[C@H](CC(F)F)c1cccc(Br)c1O.
What is the InChIKey of 2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol?
The InChIKey is DKCJPLFVHHLAHD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c10-6-3-1-2-5(9(6)14)7(13)4-8(11)12/h1-3,7-8,14H,4,13H2/t7-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol?
2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol has a molecular weight of 266.08 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3,3-difluoropropyl]-6-bromophenol is sourced from PubChem (CID 131326397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).