4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine

C14H16F10N2O — CID 135169730

IUPAC4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine
SMILESF/C(=C(/N1CCOCC1)N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C14H16F10N2O/c15-10(14(22,23)24)11(25-1-3-27-4-2-25)26-6-8(12(16,17)18)5-9(7-26)13(19,20)21/h8-9H,1-7H2/b11-10-
InChIKeyZPQSZLJKOQMMMC-KHPPLWFESA-N
MW418.28 g/mol
LogP4.08
Rot. Bonds2

About 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine

4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine (PubChem CID 135169730) has the molecular formula C14H16F10N2O and a molecular weight of 418.28 g/mol. Its IUPAC name is 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine
PubChem CID135169730
Molecular FormulaC14H16F10N2O
Molecular Weight418.28 g/mol
Exact Mass418.11
IUPAC Name4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine
SMILESF/C(=C(/N1CCOCC1)N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C14H16F10N2O/c15-10(14(22,23)24)11(25-1-3-27-4-2-25)26-6-8(12(16,17)18)5-9(7-26)13(19,20)21/h8-9H,1-7H2/b11-10-
InChIKeyZPQSZLJKOQMMMC-KHPPLWFESA-N
XLogP4.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine?
The IUPAC name of 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine (CID 135169730) is 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine.
What is the SMILES notation for 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine?
The canonical SMILES for 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine is F/C(=C(/N1CCOCC1)N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine?
The InChIKey is ZPQSZLJKOQMMMC-KHPPLWFESA-N. The full InChI is InChI=1S/C14H16F10N2O/c15-10(14(22,23)24)11(25-1-3-27-4-2-25)26-6-8(12(16,17)18)5-9(7-26)13(19,20)21/h8-9H,1-7H2/b11-10-.
What are the key properties of 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine?
4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine has a molecular weight of 418.28 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine is sourced from PubChem (CID 135169730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).