2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C15H17F7O — CID 58854816

About 2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 58854816) has the molecular formula C15H17F7O and a molecular weight of 346.29 g/mol. Its IUPAC name is 2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

• Compound Name: 2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
• PubChem CID: 58854816
• Molecular Formula: C15H17F7O
• Molecular Weight: 346.29 g/mol
• Exact Mass: 346.12
• IUPAC Name: 2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
• SMILES: C=C(CC1(C(O)(C(F)(F)F)C(F)(F)F)C=C(F)C1)C1CCCC1
• InChI: InChI=1S/C15H17F7O/c1-9(10-4-2-3-5-10)6-12(7-11(16)8-12)13(23,14(17,18)19)15(20,21)22/h7,10,23H,1-6,8H2
• InChIKey: WYWLDJJEQDBXHC-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	346.29
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
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-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

The IUPAC name of 2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 58854816) is 2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

What is the SMILES notation for 2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

The canonical SMILES for 2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is C=C(CC1(C(O)(C(F)(F)F)C(F)(F)F)C=C(F)C1)C1CCCC1.

What is the InChIKey of 2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

The InChIKey is WYWLDJJEQDBXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F7O/c1-9(10-4-2-3-5-10)6-12(7-11(16)8-12)13(23,14(17,18)19)15(20,21)22/h7,10,23H,1-6,8H2.

What are the key properties of 2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 346.29 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 58854816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).