(3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol

C7H10INO2 — CID 130642197

IUPAC(3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol
SMILESN[C@H](CCO)c1ccc(I)o1
InChIInChI=1S/C7H10INO2/c8-7-2-1-6(11-7)5(9)3-4-10/h1-2,5,10H,3-4,9H2/t5-/m1/s1
InChIKeyDKGHDYYZZPHYNJ-RXMQYKEDSA-N
MW267.07 g/mol
LogP1.27
Rot. Bonds3

About (3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol

(3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol (PubChem CID 130642197) has the molecular formula C7H10INO2 and a molecular weight of 267.07 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol
PubChem CID130642197
Molecular FormulaC7H10INO2
Molecular Weight267.07 g/mol
Exact Mass266.98
IUPAC Name(3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol
SMILESN[C@H](CCO)c1ccc(I)o1
InChIInChI=1S/C7H10INO2/c8-7-2-1-6(11-7)5(9)3-4-10/h1-2,5,10H,3-4,9H2/t5-/m1/s1
InChIKeyDKGHDYYZZPHYNJ-RXMQYKEDSA-N
XLogP1.27
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol (CID 130642197) is (3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol is N[C@H](CCO)c1ccc(I)o1.
What is the InChIKey of (3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol?
The InChIKey is DKGHDYYZZPHYNJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10INO2/c8-7-2-1-6(11-7)5(9)3-4-10/h1-2,5,10H,3-4,9H2/t5-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol?
(3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol has a molecular weight of 267.07 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-iodofuran-2-yl)propan-1-ol is sourced from PubChem (CID 130642197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).