(1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol

C9H11FINO — CID 131150416

IUPAC(1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cc(F)cc(I)c1
InChIInChI=1S/C9H11FINO/c1-5(13)9(12)6-2-7(10)4-8(11)3-6/h2-5,9,13H,12H2,1H3/t5-,9-/m1/s1
InChIKeyWGFHVBAEWNFKIU-MLUIRONXSA-N
MW295.10 g/mol
LogP1.81
Rot. Bonds2

About (1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol

(1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol (PubChem CID 131150416) has the molecular formula C9H11FINO and a molecular weight of 295.10 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol
PubChem CID131150416
Molecular FormulaC9H11FINO
Molecular Weight295.10 g/mol
Exact Mass294.99
IUPAC Name(1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cc(F)cc(I)c1
InChIInChI=1S/C9H11FINO/c1-5(13)9(12)6-2-7(10)4-8(11)3-6/h2-5,9,13H,12H2,1H3/t5-,9-/m1/s1
InChIKeyWGFHVBAEWNFKIU-MLUIRONXSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
CID 130683102
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride
CID 171262344
(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131320049
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555
(1R,2R)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 130921857
(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 55295473
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol
CID 130604734
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol
CID 130730137
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol;hydrochloride
CID 171271638
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052
3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol
CID 55274065

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol (CID 131150416) is (1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol is C[C@@H](O)[C@@H](N)c1cc(F)cc(I)c1.
What is the InChIKey of (1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol?
The InChIKey is WGFHVBAEWNFKIU-MLUIRONXSA-N. The full InChI is InChI=1S/C9H11FINO/c1-5(13)9(12)6-2-7(10)4-8(11)3-6/h2-5,9,13H,12H2,1H3/t5-,9-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol?
(1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol has a molecular weight of 295.10 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol is sourced from PubChem (CID 131150416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).