(2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide

C25H24F3NO3 — CID 44628587

About (2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide

(2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide (PubChem CID 44628587) has the molecular formula C25H24F3NO3 and a molecular weight of 443.47 g/mol. Its IUPAC name is (2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide.

Molecular Properties

• Compound Name: (2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide
• PubChem CID: 44628587
• Molecular Formula: C25H24F3NO3
• Molecular Weight: 443.47 g/mol
• Exact Mass: 443.17
• IUPAC Name: (2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide
• SMILES: O=C(/C=C1\CC2(CCC2)Oc2cc(C(F)(F)F)ccc21)Nc1ccc2c(c1)[C@H](O)CCC2
• InChI: InChI=1S/C25H24F3NO3/c26-25(27,28)17-6-8-19-16(14-24(9-2-10-24)32-22(19)12-17)11-23(31)29-18-7-5-15-3-1-4-21(30)20(15)13-18/h5-8,11-13,21,30H,1-4,9-10,14H2,(H,29,31)/b16-11+/t21-/m1/s1
• InChIKey: FNMJBUHNFSHPOA-RBNQXFGJSA-N
• XLogP: 5.80
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.47
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide?

The IUPAC name of (2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide (CID 44628587) is (2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide.

What is the SMILES notation for (2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide?

The canonical SMILES for (2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide is O=C(/C=C1\CC2(CCC2)Oc2cc(C(F)(F)F)ccc21)Nc1ccc2c(c1)[C@H](O)CCC2.

What is the InChIKey of (2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide?

The InChIKey is FNMJBUHNFSHPOA-RBNQXFGJSA-N. The full InChI is InChI=1S/C25H24F3NO3/c26-25(27,28)17-6-8-19-16(14-24(9-2-10-24)32-22(19)12-17)11-23(31)29-18-7-5-15-3-1-4-21(30)20(15)13-18/h5-8,11-13,21,30H,1-4,9-10,14H2,(H,29,31)/b16-11+/t21-/m1/s1.

What are the key properties of (2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide?

(2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide has a molecular weight of 443.47 g/mol, XLogP of 5.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-N-[(8R)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide is sourced from PubChem (CID 44628587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).