4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine

C12H18F4N2O — CID 135169385

IUPAC4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine
SMILESF/C=C(/N1CCOCC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F4N2O/c13-9-11(18-5-7-19-8-6-18)17-3-1-10(2-4-17)12(14,15)16/h9-10H,1-8H2/b11-9+
InChIKeyGNNPIQCUXCUJKD-PKNBQFBNSA-N
MW282.28 g/mol
LogP2.36
Rot. Bonds2

About 4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine

4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine (PubChem CID 135169385) has the molecular formula C12H18F4N2O and a molecular weight of 282.28 g/mol. Its IUPAC name is 4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine
PubChem CID135169385
Molecular FormulaC12H18F4N2O
Molecular Weight282.28 g/mol
Exact Mass282.14
IUPAC Name4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine
SMILESF/C=C(/N1CCOCC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F4N2O/c13-9-11(18-5-7-19-8-6-18)17-3-1-10(2-4-17)12(14,15)16/h9-10H,1-8H2/b11-9+
InChIKeyGNNPIQCUXCUJKD-PKNBQFBNSA-N
XLogP2.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine?
The IUPAC name of 4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine (CID 135169385) is 4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine.
What is the SMILES notation for 4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine?
The canonical SMILES for 4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine is F/C=C(/N1CCOCC1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine?
The InChIKey is GNNPIQCUXCUJKD-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H18F4N2O/c13-9-11(18-5-7-19-8-6-18)17-3-1-10(2-4-17)12(14,15)16/h9-10H,1-8H2/b11-9+.
What are the key properties of 4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine?
4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine has a molecular weight of 282.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine is sourced from PubChem (CID 135169385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).