4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine

C12H16F7N3O — CID 135169585

IUPAC4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine
SMILESF/C(=C(/N1CCOCC1)N1CCN(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C12H16F7N3O/c13-9(11(14,15)16)10(21-5-7-23-8-6-21)20-1-3-22(4-2-20)12(17,18)19/h1-8H2/b10-9+
InChIKeySCGPAMIGJFWLBJ-MDZDMXLPSA-N
MW351.27 g/mol
LogP2.16
Rot. Bonds2

About 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine

4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine (PubChem CID 135169585) has the molecular formula C12H16F7N3O and a molecular weight of 351.27 g/mol. Its IUPAC name is 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine
PubChem CID135169585
Molecular FormulaC12H16F7N3O
Molecular Weight351.27 g/mol
Exact Mass351.12
IUPAC Name4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine
SMILESF/C(=C(/N1CCOCC1)N1CCN(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C12H16F7N3O/c13-9(11(14,15)16)10(21-5-7-23-8-6-21)20-1-3-22(4-2-20)12(17,18)19/h1-8H2/b10-9+
InChIKeySCGPAMIGJFWLBJ-MDZDMXLPSA-N
XLogP2.16
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine?
The IUPAC name of 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine (CID 135169585) is 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine.
What is the SMILES notation for 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine?
The canonical SMILES for 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine is F/C(=C(/N1CCOCC1)N1CCN(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine?
The InChIKey is SCGPAMIGJFWLBJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H16F7N3O/c13-9(11(14,15)16)10(21-5-7-23-8-6-21)20-1-3-22(4-2-20)12(17,18)19/h1-8H2/b10-9+.
What are the key properties of 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine?
4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine has a molecular weight of 351.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine is sourced from PubChem (CID 135169585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).