(3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine

C8H7FINO — CID 130722439

IUPAC(3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine
SMILESN[C@@H]1COc2ccc(I)c(F)c21
InChIInChI=1S/C8H7FINO/c9-8-4(10)1-2-6-7(8)5(11)3-12-6/h1-2,5H,3,11H2/t5-/m1/s1
InChIKeyUSGLZBFQGZCMGC-RXMQYKEDSA-N
MW279.05 g/mol
LogP1.82
Rot. Bonds

About (3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine

(3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 130722439) has the molecular formula C8H7FINO and a molecular weight of 279.05 g/mol. Its IUPAC name is (3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine
PubChem CID130722439
Molecular FormulaC8H7FINO
Molecular Weight279.05 g/mol
Exact Mass278.96
IUPAC Name(3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine
SMILESN[C@@H]1COc2ccc(I)c(F)c21
InChIInChI=1S/C8H7FINO/c9-8-4(10)1-2-6-7(8)5(11)3-12-6/h1-2,5H,3,11H2/t5-/m1/s1
InChIKeyUSGLZBFQGZCMGC-RXMQYKEDSA-N
XLogP1.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.05
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine (CID 130722439) is (3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine is N[C@@H]1COc2ccc(I)c(F)c21.
What is the InChIKey of (3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is USGLZBFQGZCMGC-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H7FINO/c9-8-4(10)1-2-6-7(8)5(11)3-12-6/h1-2,5H,3,11H2/t5-/m1/s1.
What are the key properties of (3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine?
(3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 279.05 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 130722439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).