3-fluoro-1-benzofuran-5-amine

C8H6FNO — CID 105429508

IUPAC3-fluoro-1-benzofuran-5-amine
SMILESNc1ccc2occ(F)c2c1
InChIInChI=1S/C8H6FNO/c9-7-4-11-8-2-1-5(10)3-6(7)8/h1-4H,10H2
InChIKeyLOJIKQISTAIGOF-UHFFFAOYSA-N
MW151.14 g/mol
LogP2.15
Rot. Bonds

About 3-fluoro-1-benzofuran-5-amine

3-fluoro-1-benzofuran-5-amine (PubChem CID 105429508) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 3-fluoro-1-benzofuran-5-amine.

Molecular Properties

Compound Name3-fluoro-1-benzofuran-5-amine
PubChem CID105429508
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name3-fluoro-1-benzofuran-5-amine
SMILESNc1ccc2occ(F)c2c1
InChIInChI=1S/C8H6FNO/c9-7-4-11-8-2-1-5(10)3-6(7)8/h1-4H,10H2
InChIKeyLOJIKQISTAIGOF-UHFFFAOYSA-N
XLogP2.15
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-benzofuran-5-amine?
The IUPAC name of 3-fluoro-1-benzofuran-5-amine (CID 105429508) is 3-fluoro-1-benzofuran-5-amine.
What is the SMILES notation for 3-fluoro-1-benzofuran-5-amine?
The canonical SMILES for 3-fluoro-1-benzofuran-5-amine is Nc1ccc2occ(F)c2c1.
What is the InChIKey of 3-fluoro-1-benzofuran-5-amine?
The InChIKey is LOJIKQISTAIGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c9-7-4-11-8-2-1-5(10)3-6(7)8/h1-4H,10H2.
What are the key properties of 3-fluoro-1-benzofuran-5-amine?
3-fluoro-1-benzofuran-5-amine has a molecular weight of 151.14 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-benzofuran-5-amine is sourced from PubChem (CID 105429508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).