4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine

C14H16F3NO — CID 101843206

IUPAC4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine
SMILESC1COCCN1C(/C=C/C(F)(F)F)C2=CC=CC=C2
InChIInChI=1S/C14H16F3NO/c15-14(16,17)7-6-13(12-4-2-1-3-5-12)18-8-10-19-11-9-18/h1-7,13H,8-11H2/b7-6+
InChIKeyDCBTULMHNZYORE-VOTSOKGWSA-N
MW271.28 g/mol
LogP3.00
Rot. Bonds3

About 4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine

4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine (PubChem CID 101843206) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine
PubChem CID101843206
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine
SMILESC1COCCN1C(/C=C/C(F)(F)F)C2=CC=CC=C2
InChIInChI=1S/C14H16F3NO/c15-14(16,17)7-6-13(12-4-2-1-3-5-12)18-8-10-19-11-9-18/h1-7,13H,8-11H2/b7-6+
InChIKeyDCBTULMHNZYORE-VOTSOKGWSA-N
XLogP3.00
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity292

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine?
The IUPAC name of 4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine (CID 101843206) is 4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine is C1COCCN1C(/C=C/C(F)(F)F)C2=CC=CC=C2.
What is the InChIKey of 4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine?
The InChIKey is DCBTULMHNZYORE-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)7-6-13(12-4-2-1-3-5-12)18-8-10-19-11-9-18/h1-7,13H,8-11H2/b7-6+.
What are the key properties of 4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine?
4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine has a molecular weight of 271.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine is sourced from PubChem (CID 101843206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).