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

C9H13F4NO2 — CID 145002198

IUPAC4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine
SMILESCCO/C(=C(/F)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H13F4NO2/c1-2-16-7(9(11,12)13)8(10)14-3-5-15-6-4-14/h2-6H2,1H3/b8-7-
InChIKeyDXFOWSUDGQEEMQ-FPLPWBNLSA-N
MW243.20 g/mol
LogP2.06
Rot. Bonds3

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

4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine (PubChem CID 145002198) has the molecular formula C9H13F4NO2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine
PubChem CID145002198
Molecular FormulaC9H13F4NO2
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Name4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine
SMILESCCO/C(=C(/F)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H13F4NO2/c1-2-16-7(9(11,12)13)8(10)14-3-5-15-6-4-14/h2-6H2,1H3/b8-7-
InChIKeyDXFOWSUDGQEEMQ-FPLPWBNLSA-N
XLogP2.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one
CID 56965667
4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine
CID 118673874
ethyl 4-morpholin-4-yl-2,4-dioxobutanoate
CID 86682312
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate
CID 131855286
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate
CID 102474197
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278
diethyl 2-(morpholine-4-carbonylamino)propanedioate
CID 79151888
3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
CID 19761951
diethyl 2-morpholin-4-ylbut-2-enedioate
CID 54498414

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine?
The IUPAC name of 4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine (CID 145002198) is 4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine.
What is the SMILES notation for 4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine?
The canonical SMILES for 4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine is CCO/C(=C(/F)N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine?
The InChIKey is DXFOWSUDGQEEMQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H13F4NO2/c1-2-16-7(9(11,12)13)8(10)14-3-5-15-6-4-14/h2-6H2,1H3/b8-7-.
What are the key properties of 4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine?
4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine has a molecular weight of 243.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine is sourced from PubChem (CID 145002198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).