(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride

C12H18ClFINO — CID 171266085

IUPAC(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride
SMILESCCCC[C@H](O)[C@H](N)c1cc(I)ccc1F.Cl
InChIInChI=1S/C12H17FINO.ClH/c1-2-3-4-11(16)12(15)9-7-8(14)5-6-10(9)13;/h5-7,11-12,16H,2-4,15H2,1H3;1H/t11-,12+;/m0./s1
InChIKeyLVDHRKRSXFMRHU-ZVWHLABXSA-N
MW373.64 g/mol
LogP3.40
Rot. Bonds5

About (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride (PubChem CID 171266085) has the molecular formula C12H18ClFINO and a molecular weight of 373.64 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride
PubChem CID171266085
Molecular FormulaC12H18ClFINO
Molecular Weight373.64 g/mol
Exact Mass373.01
IUPAC Name(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride
SMILESCCCC[C@H](O)[C@H](N)c1cc(I)ccc1F.Cl
InChIInChI=1S/C12H17FINO.ClH/c1-2-3-4-11(16)12(15)9-7-8(14)5-6-10(9)13;/h5-7,11-12,16H,2-4,15H2,1H3;1H/t11-,12+;/m0./s1
InChIKeyLVDHRKRSXFMRHU-ZVWHLABXSA-N
XLogP3.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.64
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride 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

(1R)-1-(2-fluoro-5-iodophenyl)pentan-1-amine;hydrochloride
CID 171216184
(1S,2R)-1-amino-1-(2-fluoro-5-iodophenyl)-5-methylhexan-2-ol
CID 171271749
(1S)-1-(2-fluoro-5-iodophenyl)hexan-1-amine;hydrochloride
CID 171235820
(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride
CID 171267367
(1S,2R)-1-amino-1-(4-iodophenyl)hexan-2-ol;hydrochloride
CID 171267629
(1S,2R)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171161723
(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171266075
(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171160289
(1S,2R)-1-amino-1-(3-iodophenyl)hexan-2-ol;hydrochloride
CID 171269945
2-[(1S,2R)-1-amino-2-hydroxyhexyl]-4,6-diiodophenol
CID 171271657
(1R,2S)-1-amino-1-(4-chloro-2,6-difluorophenyl)hexan-2-ol;hydrochloride
CID 171264386
(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
CID 131075545

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride (CID 171266085) is (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride is CCCC[C@H](O)[C@H](N)c1cc(I)ccc1F.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride?
The InChIKey is LVDHRKRSXFMRHU-ZVWHLABXSA-N. The full InChI is InChI=1S/C12H17FINO.ClH/c1-2-3-4-11(16)12(15)9-7-8(14)5-6-10(9)13;/h5-7,11-12,16H,2-4,15H2,1H3;1H/t11-,12+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride has a molecular weight of 373.64 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride is sourced from PubChem (CID 171266085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).