4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine

C7H8F5NO — CID 13499030

IUPAC4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine
SMILESF/C(=C(/F)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C7H8F5NO/c8-5(7(10,11)12)6(9)13-1-3-14-4-2-13/h1-4H2/b6-5-
InChIKeyRUJOHJMUPUWDPN-WAYWQWQTSA-N
MW217.14 g/mol
LogP1.99
Rot. Bonds1

About 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine

4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine (PubChem CID 13499030) has the molecular formula C7H8F5NO and a molecular weight of 217.14 g/mol. Its IUPAC name is 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine
PubChem CID13499030
Molecular FormulaC7H8F5NO
Molecular Weight217.14 g/mol
Exact Mass217.05
IUPAC Name4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine
SMILESF/C(=C(/F)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C7H8F5NO/c8-5(7(10,11)12)6(9)13-1-3-14-4-2-13/h1-4H2/b6-5-
InChIKeyRUJOHJMUPUWDPN-WAYWQWQTSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-(2,2,3,3-Tetrafluoropropyl)morpholine
CID 12554036
4-(Difluoromethyl)morpholine
CID 10329349
4-[(E)-3,3,3-trifluoroprop-1-enyl]morpholine
CID 11701140
4-(1,1,2,2,2-Pentafluoroethyl)morpholine
CID 52991953
4-(2,2-Difluoropropyl)morpholine
CID 91007241
4-(Trifluoromethyl)morpholine
CID 12654528
4-(1,1,2,3,3,3-Hexafluoropropyl)morpholine
CID 13499029
4-(2,2,3,4,4,4-Hexafluorobutyl)morpholine
CID 17997711
4-(1,1,2,2-Tetrafluoro-2-methoxyethyl)morpholine
CID 18725575
4-[1,3,3,3-Tetrafluoro-2-(trifluoromethyl)prop-1-enyl]morpholine
CID 22964137
4-(1,1,2,2,3,3,3-Heptafluoropropyl)morpholine
CID 52991954
4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)morpholine
CID 54297752

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine?
The IUPAC name of 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine (CID 13499030) is 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine.
What is the SMILES notation for 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine?
The canonical SMILES for 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine is F/C(=C(/F)C(F)(F)F)N1CCOCC1.
What is the InChIKey of 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine?
The InChIKey is RUJOHJMUPUWDPN-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H8F5NO/c8-5(7(10,11)12)6(9)13-1-3-14-4-2-13/h1-4H2/b6-5-.
What are the key properties of 4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine?
4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]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-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine is sourced from PubChem (CID 13499030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).