4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane

C17H26F3NO — CID 164564406

IUPAC4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane
SMILESC=C/C(=C(/F)C(=C)C)C(F)(F)C1CN(C2CC2)CCO1.CC
InChIInChI=1S/C15H20F3NO.C2H6/c1-4-12(14(16)10(2)3)15(17,18)13-9-19(7-8-20-13)11-5-6-11;1-2/h4,11,13H,1-2,5-9H2,3H3;1-2H3/b14-12-;
InChIKeyQFASGZTXVNZVED-CTMPBGLUSA-N
MW317.40 g/mol
LogP4.50
Rot. Bonds5

About 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane

4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane (PubChem CID 164564406) has the molecular formula C17H26F3NO and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane.

Molecular Properties

Compound Name4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane
PubChem CID164564406
Molecular FormulaC17H26F3NO
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane
SMILESC=C/C(=C(/F)C(=C)C)C(F)(F)C1CN(C2CC2)CCO1.CC
InChIInChI=1S/C15H20F3NO.C2H6/c1-4-12(14(16)10(2)3)15(17,18)13-9-19(7-8-20-13)11-5-6-11;1-2/h4,11,13H,1-2,5-9H2,3H3;1-2H3/b14-12-;
InChIKeyQFASGZTXVNZVED-CTMPBGLUSA-N
XLogP4.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane?
The IUPAC name of 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane (CID 164564406) is 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane.
What is the SMILES notation for 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane?
The canonical SMILES for 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane is C=C/C(=C(/F)C(=C)C)C(F)(F)C1CN(C2CC2)CCO1.CC.
What is the InChIKey of 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane?
The InChIKey is QFASGZTXVNZVED-CTMPBGLUSA-N. The full InChI is InChI=1S/C15H20F3NO.C2H6/c1-4-12(14(16)10(2)3)15(17,18)13-9-19(7-8-20-13)11-5-6-11;1-2/h4,11,13H,1-2,5-9H2,3H3;1-2H3/b14-12-;.
What are the key properties of 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane?
4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane has a molecular weight of 317.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine;ethane is sourced from PubChem (CID 164564406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).