5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine

C10H11ClFNO2 — CID 82716745

IUPAC5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1c2cc(Cl)c(F)cc2OC1C
InChIInChI=1S/C10H11ClFNO2/c1-5-10(13-14-2)6-3-7(11)8(12)4-9(6)15-5/h3-5,10,13H,1-2H3
InChIKeyUAKGCVGCCGUXOK-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.45
Rot. Bonds2

About 5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine

5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 82716745) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID82716745
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1c2cc(Cl)c(F)cc2OC1C
InChIInChI=1S/C10H11ClFNO2/c1-5-10(13-14-2)6-3-7(11)8(12)4-9(6)15-5/h3-5,10,13H,1-2H3
InChIKeyUAKGCVGCCGUXOK-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.45
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 5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 82716745) is 5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine is CONC1c2cc(Cl)c(F)cc2OC1C.
What is the InChIKey of 5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is UAKGCVGCCGUXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-5-10(13-14-2)6-3-7(11)8(12)4-9(6)15-5/h3-5,10,13H,1-2H3.
What are the key properties of 5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine?
5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 231.65 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 82716745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).