(1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol

C9H11FINO — CID 124657692

IUPAC(1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol
SMILESN[C@@H](CF)[C@@H](O)c1ccc(I)cc1
InChIInChI=1S/C9H11FINO/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-9,13H,5,12H2/t8-,9-/m0/s1
InChIKeyRDKFSDYKXXYXJM-IUCAKERBSA-N
MW295.10 g/mol
LogP1.62
Rot. Bonds3

About (1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol

(1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol (PubChem CID 124657692) has the molecular formula C9H11FINO and a molecular weight of 295.10 g/mol. Its IUPAC name is (1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol
PubChem CID124657692
Molecular FormulaC9H11FINO
Molecular Weight295.10 g/mol
Exact Mass294.99
IUPAC Name(1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol
SMILESN[C@@H](CF)[C@@H](O)c1ccc(I)cc1
InChIInChI=1S/C9H11FINO/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-9,13H,5,12H2/t8-,9-/m0/s1
InChIKeyRDKFSDYKXXYXJM-IUCAKERBSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 51.62
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

2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol
CID 123193728
(2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
CID 69143338
(1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol
CID 134222109
(1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol
CID 71050048
(1R,2S)-2-amino-3-fluoro-1-[4-(1-oxothian-4-yl)phenyl]propan-1-ol
CID 71050083
(1R,2S)-2-amino-1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-fluoropropan-1-ol
CID 71050351
N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide
CID 163970915
(1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol
CID 71050144
(2S)-2-amino-N-[(2S,3S)-2-amino-3-hydroxy-3-(4-iodophenyl)propyl]-3-(4-hydroxyphenyl)propanamide
CID 56658410
(1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol
CID 171261947
(1R)-1-(4-iodophenyl)ethanamine
CID 15930770
2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
CID 43566119

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol?
The IUPAC name of (1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol (CID 124657692) is (1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol is N[C@@H](CF)[C@@H](O)c1ccc(I)cc1.
What is the InChIKey of (1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol?
The InChIKey is RDKFSDYKXXYXJM-IUCAKERBSA-N. The full InChI is InChI=1S/C9H11FINO/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-9,13H,5,12H2/t8-,9-/m0/s1.
What are the key properties of (1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol?
(1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol has a molecular weight of 295.10 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol is sourced from PubChem (CID 124657692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).