2-fluoro-4-(furan-3-yl)aniline

C10H8FNO — CID 63949951

IUPAC2-fluoro-4-(furan-3-yl)aniline
SMILESNc1ccc(-c2ccoc2)cc1F
InChIInChI=1S/C10H8FNO/c11-9-5-7(1-2-10(9)12)8-3-4-13-6-8/h1-6H,12H2
InChIKeySHTUEMVZSSUMPU-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.67
Rot. Bonds1

About 2-fluoro-4-(furan-3-yl)aniline

2-fluoro-4-(furan-3-yl)aniline (PubChem CID 63949951) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-fluoro-4-(furan-3-yl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(furan-3-yl)aniline
PubChem CID63949951
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name2-fluoro-4-(furan-3-yl)aniline
SMILESNc1ccc(-c2ccoc2)cc1F
InChIInChI=1S/C10H8FNO/c11-9-5-7(1-2-10(9)12)8-3-4-13-6-8/h1-6H,12H2
InChIKeySHTUEMVZSSUMPU-UHFFFAOYSA-N
XLogP2.67
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.67
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 2-fluoro-4-(furan-3-yl)aniline?
The IUPAC name of 2-fluoro-4-(furan-3-yl)aniline (CID 63949951) is 2-fluoro-4-(furan-3-yl)aniline.
What is the SMILES notation for 2-fluoro-4-(furan-3-yl)aniline?
The canonical SMILES for 2-fluoro-4-(furan-3-yl)aniline is Nc1ccc(-c2ccoc2)cc1F.
What is the InChIKey of 2-fluoro-4-(furan-3-yl)aniline?
The InChIKey is SHTUEMVZSSUMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-9-5-7(1-2-10(9)12)8-3-4-13-6-8/h1-6H,12H2.
What are the key properties of 2-fluoro-4-(furan-3-yl)aniline?
2-fluoro-4-(furan-3-yl)aniline has a molecular weight of 177.18 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(furan-3-yl)aniline is sourced from PubChem (CID 63949951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).