1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol

C17H22F6O — CID 89062357

About 1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol (PubChem CID 89062357) has the molecular formula C17H22F6O and a molecular weight of 356.35 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol
• PubChem CID: 89062357
• Molecular Formula: C17H22F6O
• Molecular Weight: 356.35 g/mol
• Exact Mass: 356.16
• IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol
• SMILES: CCC(C=C(C)C)C1=CC=C(C(O)(C(F)(F)F)C(F)(F)F)[C@H](C)C1
• InChI: InChI=1S/C17H22F6O/c1-5-12(8-10(2)3)13-6-7-14(11(4)9-13)15(24,16(18,19)20)17(21,22)23/h6-8,11-12,24H,5,9H2,1-4H3/t11-,12?/m1/s1
• InChIKey: UMBWQUQGNICBHS-JHJMLUEUSA-N
• XLogP: 5.73
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	356.35
LogP ≤ 5	5.73
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 1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol?

The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol (CID 89062357) is 1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol?

The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol is CCC(C=C(C)C)C1=CC=C(C(O)(C(F)(F)F)C(F)(F)F)[C@H](C)C1.

What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol?

The InChIKey is UMBWQUQGNICBHS-JHJMLUEUSA-N. The full InChI is InChI=1S/C17H22F6O/c1-5-12(8-10(2)3)13-6-7-14(11(4)9-13)15(24,16(18,19)20)17(21,22)23/h6-8,11-12,24H,5,9H2,1-4H3/t11-,12?/m1/s1.

What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol?

1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol has a molecular weight of 356.35 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol is sourced from PubChem (CID 89062357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).