1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene

C32H35F3 — CID 139862727

About 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene

1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene (PubChem CID 139862727) has the molecular formula C32H35F3 and a molecular weight of 476.63 g/mol. Its IUPAC name is 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene.

Molecular Properties

• Compound Name: 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene
• PubChem CID: 139862727
• Molecular Formula: C32H35F3
• Molecular Weight: 476.63 g/mol
• Exact Mass: 476.27
• IUPAC Name: 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene
• SMILES: C/C=C/CCC1CCC(CCc2ccc(-c3cc4ccc(/C=C/C)c(F)c4c(F)c3F)cc2)CC1
• InChI: InChI=1S/C32H35F3/c1-3-5-6-8-22-9-11-23(12-10-22)13-14-24-15-17-25(18-16-24)28-21-27-20-19-26(7-4-2)30(33)29(27)32(35)31(28)34/h3-5,7,15-23H,6,8-14H2,1-2H3/b5-3+,7-4+
• InChIKey: LONAEEZQEVJSHQ-HJIKTHEYSA-N
• XLogP: 10.05
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.63
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene?

The IUPAC name of 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene (CID 139862727) is 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene.

What is the SMILES notation for 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene?

The canonical SMILES for 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene is C/C=C/CCC1CCC(CCc2ccc(-c3cc4ccc(/C=C/C)c(F)c4c(F)c3F)cc2)CC1.

What is the InChIKey of 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene?

The InChIKey is LONAEEZQEVJSHQ-HJIKTHEYSA-N. The full InChI is InChI=1S/C32H35F3/c1-3-5-6-8-22-9-11-23(12-10-22)13-14-24-15-17-25(18-16-24)28-21-27-20-19-26(7-4-2)30(33)29(27)32(35)31(28)34/h3-5,7,15-23H,6,8-14H2,1-2H3/b5-3+,7-4+.

What are the key properties of 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene?

1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene has a molecular weight of 476.63 g/mol, XLogP of 10.05, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene is sourced from PubChem (CID 139862727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).