2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine

C9H12F5NO — CID 134302743

IUPAC2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine
SMILESCC1CN(/C(F)=C(\F)C(F)(F)F)CC(C)O1
InChIInChI=1S/C9H12F5NO/c1-5-3-15(4-6(2)16-5)8(11)7(10)9(12,13)14/h5-6H,3-4H2,1-2H3/b8-7-
InChIKeyPJNSTGMAMHXRMG-FPLPWBNLSA-N
MW245.19 g/mol
LogP2.77
Rot. Bonds1

About 2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine

2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine (PubChem CID 134302743) has the molecular formula C9H12F5NO and a molecular weight of 245.19 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine
PubChem CID134302743
Molecular FormulaC9H12F5NO
Molecular Weight245.19 g/mol
Exact Mass245.08
IUPAC Name2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine
SMILESCC1CN(/C(F)=C(\F)C(F)(F)F)CC(C)O1
InChIInChI=1S/C9H12F5NO/c1-5-3-15(4-6(2)16-5)8(11)7(10)9(12,13)14/h5-6H,3-4H2,1-2H3/b8-7-
InChIKeyPJNSTGMAMHXRMG-FPLPWBNLSA-N
XLogP2.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 52.77
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 2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine (CID 134302743) is 2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine is CC1CN(/C(F)=C(\F)C(F)(F)F)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine?
The InChIKey is PJNSTGMAMHXRMG-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H12F5NO/c1-5-3-15(4-6(2)16-5)8(11)7(10)9(12,13)14/h5-6H,3-4H2,1-2H3/b8-7-.
What are the key properties of 2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine?
2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine has a molecular weight of 245.19 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]morpholine is sourced from PubChem (CID 134302743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).