4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine

C9H5F12NO2 — CID 118663210

IUPAC4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine
SMILESCCO/C(=C(\F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C9H5F12NO2/c1-2-23-3(5(11,12)13)4(10)22-6(14,15)8(18,19)24-9(20,21)7(22,16)17/h2H2,1H3/b4-3+
InChIKeyNZGAVJWBZROLCH-ONEGZZNKSA-N
MW387.12 g/mol
LogP4.43
Rot. Bonds3

About 4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine

4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine (PubChem CID 118663210) has the molecular formula C9H5F12NO2 and a molecular weight of 387.12 g/mol. Its IUPAC name is 4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine.

Molecular Properties

Compound Name4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine
PubChem CID118663210
Molecular FormulaC9H5F12NO2
Molecular Weight387.12 g/mol
Exact Mass387.01
IUPAC Name4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine
SMILESCCO/C(=C(\F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C9H5F12NO2/c1-2-23-3(5(11,12)13)4(10)22-6(14,15)8(18,19)24-9(20,21)7(22,16)17/h2H2,1H3/b4-3+
InChIKeyNZGAVJWBZROLCH-ONEGZZNKSA-N
XLogP4.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.12
LogP ≤ 54.43
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine?
The IUPAC name of 4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine (CID 118663210) is 4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine.
What is the SMILES notation for 4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine?
The canonical SMILES for 4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine is CCO/C(=C(\F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine?
The InChIKey is NZGAVJWBZROLCH-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H5F12NO2/c1-2-23-3(5(11,12)13)4(10)22-6(14,15)8(18,19)24-9(20,21)7(22,16)17/h2H2,1H3/b4-3+.
What are the key properties of 4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine?
4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine has a molecular weight of 387.12 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoromorpholine is sourced from PubChem (CID 118663210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).