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

C9H9ClFNO2 — CID 82716829

IUPAC5-chloro-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1COc2cc(F)c(Cl)cc21
InChIInChI=1S/C9H9ClFNO2/c1-13-12-8-4-14-9-3-7(11)6(10)2-5(8)9/h2-3,8,12H,4H2,1H3
InChIKeyCDDNHRLOVQXYDE-UHFFFAOYSA-N
MW217.63 g/mol
LogP2.06
Rot. Bonds2

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

5-chloro-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 82716829) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 5-chloro-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID82716829
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name5-chloro-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCONC1COc2cc(F)c(Cl)cc21
InChIInChI=1S/C9H9ClFNO2/c1-13-12-8-4-14-9-3-7(11)6(10)2-5(8)9/h2-3,8,12H,4H2,1H3
InChIKeyCDDNHRLOVQXYDE-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 52.06
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-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-chloro-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine (CID 82716829) is 5-chloro-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-chloro-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-chloro-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine is CONC1COc2cc(F)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is CDDNHRLOVQXYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-13-12-8-4-14-9-3-7(11)6(10)2-5(8)9/h2-3,8,12H,4H2,1H3.
What are the key properties of 5-chloro-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
5-chloro-6-fluoro-N-methoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 217.63 g/mol, XLogP of 2.06, 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-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 82716829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).