(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol

C9H10BrF2NO — CID 130612106

IUPAC(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
SMILESCC(O)[C@@H](N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C9H10BrF2NO/c1-4(14)9(13)7-6(11)3-2-5(10)8(7)12/h2-4,9,14H,13H2,1H3/t4?,9-/m1/s1
InChIKeyQUAWGQJZWDJJRC-KISVTORNSA-N
MW266.08 g/mol
LogP2.11
Rot. Bonds2

About (1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol

(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol (PubChem CID 130612106) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is (1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
PubChem CID130612106
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
SMILESCC(O)[C@@H](N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C9H10BrF2NO/c1-4(14)9(13)7-6(11)3-2-5(10)8(7)12/h2-4,9,14H,13H2,1H3/t4?,9-/m1/s1
InChIKeyQUAWGQJZWDJJRC-KISVTORNSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol 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

(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171268152
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171248107
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
(1R,2S)-1-amino-1-(3-bromo-2,6-difluorophenyl)hexan-2-ol
CID 171262488
1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine
CID 106942519
(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)hexan-2-ol;hydrochloride
CID 171268162
1-(3-bromo-2,6-difluorophenyl)-2,2-diethoxyethanamine
CID 106942803
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854
(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine
CID 171205160
(1S,2R)-1-amino-1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171268166
(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
CID 130722751

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol?
The IUPAC name of (1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol (CID 130612106) is (1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol is CC(O)[C@@H](N)c1c(F)ccc(Br)c1F.
What is the InChIKey of (1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol?
The InChIKey is QUAWGQJZWDJJRC-KISVTORNSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-4(14)9(13)7-6(11)3-2-5(10)8(7)12/h2-4,9,14H,13H2,1H3/t4?,9-/m1/s1.
What are the key properties of (1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol?
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol has a molecular weight of 266.08 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol is sourced from PubChem (CID 130612106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).