4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine

C7H8F5NO — CID 118673874

IUPAC4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine
SMILESFC(F)=C(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H8F5NO/c8-6(9)5(7(10,11)12)13-1-3-14-4-2-13/h1-4H2
InChIKeyXINZIJOYIGRIFI-UHFFFAOYSA-N
MW217.14 g/mol
LogP1.99
Rot. Bonds1

About 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine

4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine (PubChem CID 118673874) has the molecular formula C7H8F5NO and a molecular weight of 217.14 g/mol. Its IUPAC name is 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine.

Molecular Properties

Compound Name4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine
PubChem CID118673874
Molecular FormulaC7H8F5NO
Molecular Weight217.14 g/mol
Exact Mass217.05
IUPAC Name4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine
SMILESFC(F)=C(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H8F5NO/c8-6(9)5(7(10,11)12)13-1-3-14-4-2-13/h1-4H2
InChIKeyXINZIJOYIGRIFI-UHFFFAOYSA-N
XLogP1.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone)
CID 118496995
4-[(Z)-3-bromo-1,1,1-trifluoronon-2-en-2-yl]morpholine
CID 15893136
4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine
CID 145002198
2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione
CID 11507063
1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]pyrrolidine
CID 166661052
[fluoro(morpholin-4-yl)methylidene]-dimethylazanium
CID 24853903
2,2,3,3-tetrafluoro-1-morpholin-4-ylpropan-1-one
CID 3621669
ethene;1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene
CID 88622012
3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one
CID 130600801
4,4,4-trifluoro-1-morpholin-4-yl-3-pyrrolidin-1-ylbut-2-en-1-one
CID 3837159
2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone
CID 1356929
4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine
CID 15893145

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine?
The IUPAC name of 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine (CID 118673874) is 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine.
What is the SMILES notation for 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine?
The canonical SMILES for 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine is FC(F)=C(N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine?
The InChIKey is XINZIJOYIGRIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO/c8-6(9)5(7(10,11)12)13-1-3-14-4-2-13/h1-4H2.
What are the key properties of 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine?
4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine has a molecular weight of 217.14 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine is sourced from PubChem (CID 118673874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).