4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine

C14H13F6NO — CID 146169983

IUPAC4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine
SMILESFC(F)(F)c1cc(/C=C/N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H13F6NO/c15-13(16,17)11-7-10(8-12(9-11)14(18,19)20)1-2-21-3-5-22-6-4-21/h1-2,7-9H,3-6H2/b2-1+
InChIKeyRFBIJVYQRVGZML-OWOJBTEDSA-N
MW325.25 g/mol
LogP4.03
Rot. Bonds2

About 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine

4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine (PubChem CID 146169983) has the molecular formula C14H13F6NO and a molecular weight of 325.25 g/mol. Its IUPAC name is 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine
PubChem CID146169983
Molecular FormulaC14H13F6NO
Molecular Weight325.25 g/mol
Exact Mass325.09
IUPAC Name4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine
SMILESFC(F)(F)c1cc(/C=C/N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H13F6NO/c15-13(16,17)11-7-10(8-12(9-11)14(18,19)20)1-2-21-3-5-22-6-4-21/h1-2,7-9H,3-6H2/b2-1+
InChIKeyRFBIJVYQRVGZML-OWOJBTEDSA-N
XLogP4.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine?
The IUPAC name of 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine (CID 146169983) is 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine.
What is the SMILES notation for 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine?
The canonical SMILES for 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine is FC(F)(F)c1cc(/C=C/N2CCOCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine?
The InChIKey is RFBIJVYQRVGZML-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H13F6NO/c15-13(16,17)11-7-10(8-12(9-11)14(18,19)20)1-2-21-3-5-22-6-4-21/h1-2,7-9H,3-6H2/b2-1+.
What are the key properties of 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine?
4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine has a molecular weight of 325.25 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]morpholine is sourced from PubChem (CID 146169983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).