4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine

C12H18F4N2O — CID 135169439

IUPAC4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine
SMILESF/C(=C(\N1CCCCC1)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C12H18F4N2O/c13-10(12(14,15)16)11(17-4-2-1-3-5-17)18-6-8-19-9-7-18/h1-9H2/b11-10+
InChIKeyAGCNHSLTLBEIJH-ZHACJKMWSA-N
MW282.28 g/mol
LogP2.51
Rot. Bonds2

About 4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine

4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine (PubChem CID 135169439) has the molecular formula C12H18F4N2O and a molecular weight of 282.28 g/mol. Its IUPAC name is 4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine
PubChem CID135169439
Molecular FormulaC12H18F4N2O
Molecular Weight282.28 g/mol
Exact Mass282.14
IUPAC Name4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine
SMILESF/C(=C(\N1CCCCC1)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C12H18F4N2O/c13-10(12(14,15)16)11(17-4-2-1-3-5-17)18-6-8-19-9-7-18/h1-9H2/b11-10+
InChIKeyAGCNHSLTLBEIJH-ZHACJKMWSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2,2,3,3,4,4,4-Octafluoro-1-morpholin-4-ylbutyl)morpholine
CID 20085730
4-(1,2,2,3,3,3-Hexafluoro-1-morpholin-4-ylpropyl)morpholine
CID 20085731
4-[Fluoro(piperidin-1-yl)methyl]morpholine
CID 59360811
4-[2,2-Difluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine
CID 135169382
4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine
CID 135169385
4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]morpholine
CID 135169386
4-[(E)-2-fluoro-1-piperidin-1-ylethenyl]morpholine
CID 135169408
4-(2,2-Difluoro-1-piperidin-1-ylethenyl)morpholine
CID 135169411
4-[(Z)-2,3,3,3-tetrafluoro-1-morpholin-4-ylprop-1-enyl]-2,6-bis(trifluoromethyl)morpholine
CID 135169450
4-(2,2-Difluoro-1-morpholin-4-ylethenyl)-2,6-bis(trifluoromethyl)morpholine
CID 135169451
4-[2,2-Difluoro-1-[4-(trifluoromethyl)piperazin-1-yl]ethenyl]morpholine
CID 135169582
4-[(E)-2,3,3,3-tetrafluoro-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-enyl]morpholine
CID 135169585

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine?
The IUPAC name of 4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine (CID 135169439) is 4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine.
What is the SMILES notation for 4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine?
The canonical SMILES for 4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine is F/C(=C(\N1CCCCC1)N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine?
The InChIKey is AGCNHSLTLBEIJH-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H18F4N2O/c13-10(12(14,15)16)11(17-4-2-1-3-5-17)18-6-8-19-9-7-18/h1-9H2/b11-10+.
What are the key properties of 4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine?
4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine has a molecular weight of 282.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2,3,3,3-tetrafluoro-1-piperidin-1-ylprop-1-enyl]morpholine is sourced from PubChem (CID 135169439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).