2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C20H25F3O — CID 139864740

About 2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 139864740) has the molecular formula C20H25F3O and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

• Compound Name: 2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
• PubChem CID: 139864740
• Molecular Formula: C20H25F3O
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.19
• IUPAC Name: 2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
• SMILES: C=CCOC1CCC2CC(c3ccc(C(F)(F)F)cc3)CCC2C1
• InChI: InChI=1S/C20H25F3O/c1-2-11-24-19-10-7-16-12-15(3-4-17(16)13-19)14-5-8-18(9-6-14)20(21,22)23/h2,5-6,8-9,15-17,19H,1,3-4,7,10-13H2
• InChIKey: SWCGFTLSKCMZTQ-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?

The IUPAC name of 2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 139864740) is 2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

What is the SMILES notation for 2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?

The canonical SMILES for 2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C=CCOC1CCC2CC(c3ccc(C(F)(F)F)cc3)CCC2C1.

What is the InChIKey of 2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?

The InChIKey is SWCGFTLSKCMZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3O/c1-2-11-24-19-10-7-16-12-15(3-4-17(16)13-19)14-5-8-18(9-6-14)20(21,22)23/h2,5-6,8-9,15-17,19H,1,3-4,7,10-13H2.

What are the key properties of 2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?

2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 338.41 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 139864740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).