(E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one

C16H20FNO3 — CID 6279076

IUPAC(E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCCCF)cc1)N1CCOCC1
InChIInChI=1S/C16H20FNO3/c17-8-1-11-21-15-5-2-14(3-6-15)4-7-16(19)18-9-12-20-13-10-18/h2-7H,1,8-13H2/b7-4+
InChIKeyYZSNNYQTGVMZHU-QPJJXVBHSA-N
MW293.34 g/mol
LogP2.30
Rot. Bonds6

About (E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one

(E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 6279076) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is (E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one
PubChem CID6279076
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name(E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCCCF)cc1)N1CCOCC1
InChIInChI=1S/C16H20FNO3/c17-8-1-11-21-15-5-2-14(3-6-15)4-7-16(19)18-9-12-20-13-10-18/h2-7H,1,8-13H2/b7-4+
InChIKeyYZSNNYQTGVMZHU-QPJJXVBHSA-N
XLogP2.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one (CID 6279076) is (E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccc(OCCCF)cc1)N1CCOCC1.
What is the InChIKey of (E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is YZSNNYQTGVMZHU-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-8-1-11-21-15-5-2-14(3-6-15)4-7-16(19)18-9-12-20-13-10-18/h2-7H,1,8-13H2/b7-4+.
What are the key properties of (E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 293.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(3-fluoropropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 6279076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).