4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine

C12H12F11NO — CID 134384142

IUPAC4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine
SMILESC/C=C\C(F)(F)C(F)C(F)(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C12H12F11NO/c1-2-3-9(14,15)8(13)12(22,23)24-4-6(10(16,17)18)25-7(5-24)11(19,20)21/h2-3,6-8H,4-5H2,1H3/b3-2-
InChIKeyKMLMPKWNYRDIPQ-IHWYPQMZSA-N
MW395.21 g/mol
LogP4.32
Rot. Bonds4

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

4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine (PubChem CID 134384142) has the molecular formula C12H12F11NO and a molecular weight of 395.21 g/mol. Its IUPAC name is 4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine
PubChem CID134384142
Molecular FormulaC12H12F11NO
Molecular Weight395.21 g/mol
Exact Mass395.07
IUPAC Name4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine
SMILESC/C=C\C(F)(F)C(F)C(F)(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1
InChIInChI=1S/C12H12F11NO/c1-2-3-9(14,15)8(13)12(22,23)24-4-6(10(16,17)18)25-7(5-24)11(19,20)21/h2-3,6-8H,4-5H2,1H3/b3-2-
InChIKeyKMLMPKWNYRDIPQ-IHWYPQMZSA-N
XLogP4.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine?
The IUPAC name of 4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine (CID 134384142) is 4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine?
The canonical SMILES for 4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine is C/C=C\C(F)(F)C(F)C(F)(F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1.
What is the InChIKey of 4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine?
The InChIKey is KMLMPKWNYRDIPQ-IHWYPQMZSA-N. The full InChI is InChI=1S/C12H12F11NO/c1-2-3-9(14,15)8(13)12(22,23)24-4-6(10(16,17)18)25-7(5-24)11(19,20)21/h2-3,6-8H,4-5H2,1H3/b3-2-.
What are the key properties of 4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine?
4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine has a molecular weight of 395.21 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 134384142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).