4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine

C9H6F11NO — CID 118673890

IUPAC4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine
SMILESF/C(=C(/F)C(F)(F)F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C9H6F11NO/c10-5(9(18,19)20)6(11)21-1-3(7(12,13)14)22-4(2-21)8(15,16)17/h3-4H,1-2H2/b6-5-
InChIKeyZDKCKDGSEQGDRD-WAYWQWQTSA-N
MW353.13 g/mol
LogP3.85
Rot. Bonds1

About 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine

4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine (PubChem CID 118673890) has the molecular formula C9H6F11NO and a molecular weight of 353.13 g/mol. Its IUPAC name is 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine
PubChem CID118673890
Molecular FormulaC9H6F11NO
Molecular Weight353.13 g/mol
Exact Mass353.03
IUPAC Name4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine
SMILESF/C(=C(/F)C(F)(F)F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C9H6F11NO/c10-5(9(18,19)20)6(11)21-1-3(7(12,13)14)22-4(2-21)8(15,16)17/h3-4H,1-2H2/b6-5-
InChIKeyZDKCKDGSEQGDRD-WAYWQWQTSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.13
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine (CID 118673890) is 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine is F/C(=C(/F)C(F)(F)F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1.
What is the InChIKey of 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is ZDKCKDGSEQGDRD-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H6F11NO/c10-5(9(18,19)20)6(11)21-1-3(7(12,13)14)22-4(2-21)8(15,16)17/h3-4H,1-2H2/b6-5-.
What are the key properties of 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine?
4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 353.13 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 118673890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).