7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine

C10H12FNO2 — CID 81480868

IUPAC7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1c2cccc(F)c2OC1C
InChIInChI=1S/C10H12FNO2/c1-6-9(12-13-2)7-4-3-5-8(11)10(7)14-6/h3-6,9,12H,1-2H3
InChIKeyQUHYFRWZYQFVNI-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.80
Rot. Bonds2

About 7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine

7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 81480868) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID81480868
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1c2cccc(F)c2OC1C
InChIInChI=1S/C10H12FNO2/c1-6-9(12-13-2)7-4-3-5-8(11)10(7)14-6/h3-6,9,12H,1-2H3
InChIKeyQUHYFRWZYQFVNI-UHFFFAOYSA-N
XLogP1.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 81480868) is 7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine is CONC1c2cccc(F)c2OC1C.
What is the InChIKey of 7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is QUHYFRWZYQFVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6-9(12-13-2)7-4-3-5-8(11)10(7)14-6/h3-6,9,12H,1-2H3.
What are the key properties of 7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 197.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 81480868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).