4-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine

C7H8F5NO — CID 86148296

IUPAC4-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine
SMILESFC(=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
InChIKeyRUJOHJMUPUWDPN-UHFFFAOYSA-N
MW217.14 g/mol
LogP1.99
Rot. Bonds1

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

4-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine (PubChem CID 86148296) has the molecular formula C7H8F5NO and a molecular weight of 217.14 g/mol. Its IUPAC name is 4-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine.

Molecular Properties

Compound Name4-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine
PubChem CID86148296
Molecular FormulaC7H8F5NO
Molecular Weight217.14 g/mol
Exact Mass217.05
IUPAC Name4-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine
SMILESFC(=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
InChIKeyRUJOHJMUPUWDPN-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine?
The IUPAC name of 4-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine (CID 86148296) is 4-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine.
What is the SMILES notation for 4-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine?
The canonical SMILES for 4-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine is FC(=C(F)C(F)(F)F)N1CCOCC1.
What is the InChIKey of 4-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine?
The InChIKey is RUJOHJMUPUWDPN-UHFFFAOYSA-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.
What are the key properties of 4-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine?
4-(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-(1,2,3,3,3-pentafluoroprop-1-enyl)morpholine is sourced from PubChem (CID 86148296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).