(E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one

C12H19F2NO2 — CID 168720313

IUPAC(E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one
SMILESC/C=C(\CC)CC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C12H19F2NO2/c1-3-10(4-2)9-12(13,14)11(16)15-5-7-17-8-6-15/h3H,4-9H2,1-2H3/b10-3+
InChIKeyAHXPWWOKOLFWCE-XCVCLJGOSA-N
MW247.28 g/mol
LogP2.23
Rot. Bonds4

About (E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one

(E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one (PubChem CID 168720313) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is (E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one.

Molecular Properties

Compound Name(E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one
PubChem CID168720313
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name(E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one
SMILESC/C=C(\CC)CC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C12H19F2NO2/c1-3-10(4-2)9-12(13,14)11(16)15-5-7-17-8-6-15/h3H,4-9H2,1-2H3/b10-3+
InChIKeyAHXPWWOKOLFWCE-XCVCLJGOSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one?
The IUPAC name of (E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one (CID 168720313) is (E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one.
What is the SMILES notation for (E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one?
The canonical SMILES for (E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one is C/C=C(\CC)CC(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of (E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one?
The InChIKey is AHXPWWOKOLFWCE-XCVCLJGOSA-N. The full InChI is InChI=1S/C12H19F2NO2/c1-3-10(4-2)9-12(13,14)11(16)15-5-7-17-8-6-15/h3H,4-9H2,1-2H3/b10-3+.
What are the key properties of (E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one?
(E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one has a molecular weight of 247.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-2,2-difluoro-1-morpholin-4-ylhex-4-en-1-one is sourced from PubChem (CID 168720313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).