(E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene

C23H43F3O — CID 155014910

IUPAC(E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene
SMILESCCCCCOCCCCCCCCCCCCCCC/C=C/C(F)(F)F
InChIInChI=1S/C23H43F3O/c1-2-3-18-21-27-22-19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20-23(24,25)26/h17,20H,2-16,18-19,21-22H2,1H3/b20-17+
InChIKeyUBVBWWGSEGDBSP-LVZFUZTISA-N
MW392.59 g/mol
LogP8.77
Rot. Bonds20

About (E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene

(E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene (PubChem CID 155014910) has the molecular formula C23H43F3O and a molecular weight of 392.59 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene
PubChem CID155014910
Molecular FormulaC23H43F3O
Molecular Weight392.59 g/mol
Exact Mass392.33
IUPAC Name(E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene
SMILESCCCCCOCCCCCCCCCCCCCCC/C=C/C(F)(F)F
InChIInChI=1S/C23H43F3O/c1-2-3-18-21-27-22-19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20-23(24,25)26/h17,20H,2-16,18-19,21-22H2,1H3/b20-17+
InChIKeyUBVBWWGSEGDBSP-LVZFUZTISA-N
XLogP8.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene?
The IUPAC name of (E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene (CID 155014910) is (E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene.
What is the SMILES notation for (E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene?
The canonical SMILES for (E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene is CCCCCOCCCCCCCCCCCCCCC/C=C/C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene?
The InChIKey is UBVBWWGSEGDBSP-LVZFUZTISA-N. The full InChI is InChI=1S/C23H43F3O/c1-2-3-18-21-27-22-19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20-23(24,25)26/h17,20H,2-16,18-19,21-22H2,1H3/b20-17+.
What are the key properties of (E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene?
(E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene has a molecular weight of 392.59 g/mol, XLogP of 8.77, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-18-pentoxyoctadec-2-ene is sourced from PubChem (CID 155014910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).