4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine

C13H14F3NO — CID 14296892

IUPAC4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine
SMILESFC(F)(F)/C(=C\c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)12(17-6-8-18-9-7-17)10-11-4-2-1-3-5-11/h1-5,10H,6-9H2/b12-10+
InChIKeyJFMYZCFLHORLDX-ZRDIBKRKSA-N
MW257.25 g/mol
LogP2.92
Rot. Bonds2

About 4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine

4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine (PubChem CID 14296892) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine
PubChem CID14296892
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine
SMILESFC(F)(F)/C(=C\c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)12(17-6-8-18-9-7-17)10-11-4-2-1-3-5-11/h1-5,10H,6-9H2/b12-10+
InChIKeyJFMYZCFLHORLDX-ZRDIBKRKSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine?
The IUPAC name of 4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine (CID 14296892) is 4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine.
What is the SMILES notation for 4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine?
The canonical SMILES for 4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine is FC(F)(F)/C(=C\c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine?
The InChIKey is JFMYZCFLHORLDX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)12(17-6-8-18-9-7-17)10-11-4-2-1-3-5-11/h1-5,10H,6-9H2/b12-10+.
What are the key properties of 4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine?
4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine has a molecular weight of 257.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine is sourced from PubChem (CID 14296892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).