3-fluoro-1-morpholin-4-ylprop-2-en-1-one

C7H10FNO2 — CID 141042230

IUPAC3-fluoro-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(C=CF)N1CCOCC1
InChIInChI=1S/C7H10FNO2/c8-2-1-7(10)9-3-5-11-6-4-9/h1-2H,3-6H2
InChIKeyDKTKRQAWZOAXRO-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.33
Rot. Bonds1

About 3-fluoro-1-morpholin-4-ylprop-2-en-1-one

3-fluoro-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 141042230) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is 3-fluoro-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-fluoro-1-morpholin-4-ylprop-2-en-1-one
PubChem CID141042230
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name3-fluoro-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(C=CF)N1CCOCC1
InChIInChI=1S/C7H10FNO2/c8-2-1-7(10)9-3-5-11-6-4-9/h1-2H,3-6H2
InChIKeyDKTKRQAWZOAXRO-UHFFFAOYSA-N
XLogP0.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of 3-fluoro-1-morpholin-4-ylprop-2-en-1-one (CID 141042230) is 3-fluoro-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for 3-fluoro-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for 3-fluoro-1-morpholin-4-ylprop-2-en-1-one is O=C(C=CF)N1CCOCC1.
What is the InChIKey of 3-fluoro-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is DKTKRQAWZOAXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2/c8-2-1-7(10)9-3-5-11-6-4-9/h1-2H,3-6H2.
What are the key properties of 3-fluoro-1-morpholin-4-ylprop-2-en-1-one?
3-fluoro-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 159.16 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 141042230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).