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

C15H20F3NO — CID 164564407

IUPAC4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine
SMILESC=C/C(=C(/F)C(=C)C)C(F)(F)C1CN(C2CC2)CCO1
InChIInChI=1S/C15H20F3NO/c1-4-12(14(16)10(2)3)15(17,18)13-9-19(7-8-20-13)11-5-6-11/h4,11,13H,1-2,5-9H2,3H3/b14-12-
InChIKeyJPNIAROTXULHFZ-OWBHPGMISA-N
MW287.33 g/mol
LogP3.47
Rot. Bonds5

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

4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine (PubChem CID 164564407) has the molecular formula C15H20F3NO and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine.

Molecular Properties

Compound Name4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine
PubChem CID164564407
Molecular FormulaC15H20F3NO
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine
SMILESC=C/C(=C(/F)C(=C)C)C(F)(F)C1CN(C2CC2)CCO1
InChIInChI=1S/C15H20F3NO/c1-4-12(14(16)10(2)3)15(17,18)13-9-19(7-8-20-13)11-5-6-11/h4,11,13H,1-2,5-9H2,3H3/b14-12-
InChIKeyJPNIAROTXULHFZ-OWBHPGMISA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.47
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 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?
The IUPAC name of 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine (CID 164564407) is 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine.
What is the SMILES notation for 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine?
The canonical SMILES for 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine is C=C/C(=C(/F)C(=C)C)C(F)(F)C1CN(C2CC2)CCO1.
What is the InChIKey of 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine?
The InChIKey is JPNIAROTXULHFZ-OWBHPGMISA-N. The full InChI is InChI=1S/C15H20F3NO/c1-4-12(14(16)10(2)3)15(17,18)13-9-19(7-8-20-13)11-5-6-11/h4,11,13H,1-2,5-9H2,3H3/b14-12-.
What are the key properties of 4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine?
4-cyclopropyl-2-[(2Z)-2-ethenyl-1,1,3-trifluoro-4-methylpenta-2,4-dienyl]morpholine has a molecular weight of 287.33 g/mol, XLogP of 3.47, 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 is sourced from PubChem (CID 164564407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).