3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine

C25H30FN — CID 144805589

About 3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine

3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine (PubChem CID 144805589) has the molecular formula C25H30FN and a molecular weight of 363.52 g/mol. Its IUPAC name is 3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine.

Molecular Properties

• Compound Name: 3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine
• PubChem CID: 144805589
• Molecular Formula: C25H30FN
• Molecular Weight: 363.52 g/mol
• Exact Mass: 363.24
• IUPAC Name: 3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine
• SMILES: [H]/N=C1\C=C(/C=C(/C)C(F)=C2C=C2)C(C)(C)C2=C1C(CC=CCC)CC=C2C
• InChI: InChI=1S/C25H30FN/c1-6-7-8-9-18-11-10-16(2)23-22(18)21(27)15-20(25(23,4)5)14-17(3)24(26)19-12-13-19/h7-8,10,12-15,18,27H,6,9,11H2,1-5H3/b8-7?,17-14-,27-21+
• InChIKey: BJBVFOXTCCXDAC-MEHSXJMASA-N
• XLogP: 7.33
• TPSA: 23.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	363.52
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine?

The IUPAC name of 3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine (CID 144805589) is 3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine.

What is the SMILES notation for 3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine?

The canonical SMILES for 3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine is [H]/N=C1\C=C(/C=C(/C)C(F)=C2C=C2)C(C)(C)C2=C1C(CC=CCC)CC=C2C.

What is the InChIKey of 3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine?

The InChIKey is BJBVFOXTCCXDAC-MEHSXJMASA-N. The full InChI is InChI=1S/C25H30FN/c1-6-7-8-9-18-11-10-16(2)23-22(18)21(27)15-20(25(23,4)5)14-17(3)24(26)19-12-13-19/h7-8,10,12-15,18,27H,6,9,11H2,1-5H3/b8-7?,17-14-,27-21+.

What are the key properties of 3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine?

3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine has a molecular weight of 363.52 g/mol, XLogP of 7.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine is sourced from PubChem (CID 144805589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).