(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C₁₀H₁₂ClF₂NO₂ — CID 171252356

About (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride

(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 171252356) has the molecular formula C₁₀H₁₂ClF₂NO₂ and a molecular weight of 251.66 g/mol. Its IUPAC name is (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

• Compound Name: (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
• PubChem CID: 171252356
• Molecular Formula: C₁₀H₁₂ClF₂NO₂
• Molecular Weight: 251.66 g/mol
• Exact Mass: 251.05
• IUPAC Name: (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
• SMILES: COc1cc2c(c(F)c1F)OCC[C@H]2N.Cl
• InChI: InChI=1S/C10H11F2NO2.ClH/c1-14-7-4-5-6(13)2-3-15-10(5)9(12)8(7)11;/h4,6H,2-3,13H2,1H3;1H/t6-;/m1./s1
• InChIKey: QINNXGQDPPXYQJ-FYZOBXCZSA-N
• XLogP: 2.18
• TPSA: 44.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.66
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?

The IUPAC name of (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 171252356) is (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

What is the SMILES notation for (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?

The canonical SMILES for (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride is COc1cc2c(c(F)c1F)OCC[C@H]2N.Cl.

What is the InChIKey of (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?

The InChIKey is QINNXGQDPPXYQJ-FYZOBXCZSA-N. The full InChI is InChI=1S/C10H11F2NO2.ClH/c1-14-7-4-5-6(13)2-3-15-10(5)9(12)8(7)11;/h4,6H,2-3,13H2,1H3;1H/t6-;/m1./s1.

What are the key properties of (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?

(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 251.66 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 171252356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171252356 — identifiers, structure, computed properties (public domain)

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