4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine

C7H10F3NO — CID 11701140

IUPAC4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine
SMILESFC(F)(F)/C=C/N1CCOCC1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)1-2-11-3-5-12-6-4-11/h1-2H,3-6H2/b2-1+
InChIKeyRZGGQNGTESAULO-OWOJBTEDSA-N
MW181.16 g/mol
LogP1.39
Rot. Bonds1

About 4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine

4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine (PubChem CID 11701140) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine
PubChem CID11701140
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine
SMILESFC(F)(F)/C=C/N1CCOCC1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)1-2-11-3-5-12-6-4-11/h1-2H,3-6H2/b2-1+
InChIKeyRZGGQNGTESAULO-OWOJBTEDSA-N
XLogP1.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.39
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-trifluoroprop-1-enyl]morpholine?
The IUPAC name of 4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine (CID 11701140) is 4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine.
What is the SMILES notation for 4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine?
The canonical SMILES for 4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine is FC(F)(F)/C=C/N1CCOCC1.
What is the InChIKey of 4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine?
The InChIKey is RZGGQNGTESAULO-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)1-2-11-3-5-12-6-4-11/h1-2H,3-6H2/b2-1+.
What are the key properties of 4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine?
4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine has a molecular weight of 181.16 g/mol, XLogP of 1.39, 1 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-trifluoroprop-1-enyl]morpholine is sourced from PubChem (CID 11701140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).