(4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine

C₁₅H₁₂Cl₂FNO — CID 104944424

About (4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944424) has the molecular formula C₁₅H₁₂Cl₂FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is (4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

• Compound Name: (4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
• PubChem CID: 104944424
• Molecular Formula: C₁₅H₁₂Cl₂FNO
• Molecular Weight: 312.17 g/mol
• Exact Mass: 311.03
• IUPAC Name: (4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
• SMILES: N[C@@H]1CC(c2cccc(Cl)c2Cl)Oc2ccc(F)cc21
• InChI: InChI=1S/C15H12Cl2FNO/c16-11-3-1-2-9(15(11)17)14-7-12(19)10-6-8(18)4-5-13(10)20-14/h1-6,12,14H,7,19H2/t12-,14?/m1/s1
• InChIKey: VMXRHWOSTCMFSP-PUODRLBUSA-N
• XLogP: 4.66
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.17
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?

The IUPAC name of (4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 104944424) is (4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.

What is the SMILES notation for (4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?

The canonical SMILES for (4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2cccc(Cl)c2Cl)Oc2ccc(F)cc21.

What is the InChIKey of (4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?

The InChIKey is VMXRHWOSTCMFSP-PUODRLBUSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c16-11-3-1-2-9(15(11)17)14-7-12(19)10-6-8(18)4-5-13(10)20-14/h1-6,12,14H,7,19H2/t12-,14?/m1/s1.

What are the key properties of (4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?

(4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 312.17 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 104944424 — identifiers, structure, computed properties (public domain)

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