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

C7H10FNO2 — CID 139371283

IUPAC2-fluoro-1-morpholin-4-ylprop-2-en-1-one
SMILESC=C(F)C(=O)N1CCOCC1
InChIInChI=1S/C7H10FNO2/c1-6(8)7(10)9-2-4-11-5-3-9/h1-5H2
InChIKeyMWNUFOGXACHOLC-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.33
Rot. Bonds1

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

2-fluoro-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 139371283) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is 2-fluoro-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name2-fluoro-1-morpholin-4-ylprop-2-en-1-one
PubChem CID139371283
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name2-fluoro-1-morpholin-4-ylprop-2-en-1-one
SMILESC=C(F)C(=O)N1CCOCC1
InChIInChI=1S/C7H10FNO2/c1-6(8)7(10)9-2-4-11-5-3-9/h1-5H2
InChIKeyMWNUFOGXACHOLC-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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Related Compounds

Acryloylmorpholine
CID 98723
1-Morpholin-4-yl-2-(trifluoromethyl)prop-2-en-1-one
CID 134918161
3-Fluoro-1-morpholin-4-ylprop-2-en-1-one
CID 141042230
(E)-4-fluoro-1-morpholin-4-ylbut-2-en-1-one
CID 145199916
(E)-3-fluoro-1-morpholin-4-ylprop-2-en-1-one
CID 146499059
1-[2-(Fluoromethyl)morpholin-4-yl]prop-2-en-1-one
CID 132317206
1-[2-(2-Fluoroethyl)morpholin-4-yl]prop-2-en-1-one
CID 132397017
(E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one
CID 132518067
1-[3-(Difluoromethyl)morpholin-4-yl]prop-2-en-1-one
CID 171499404
1-Morpholin-4-ylprop-2-en-1-one;rubidium(1+)
CID 57553339
1-(1-Oxidomorpholin-1-ium-4-yl)prop-2-en-1-one
CID 140296153
2-Hydroxy-1-morpholin-4-ylprop-2-en-1-one
CID 143931995

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of 2-fluoro-1-morpholin-4-ylprop-2-en-1-one (CID 139371283) is 2-fluoro-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for 2-fluoro-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for 2-fluoro-1-morpholin-4-ylprop-2-en-1-one is C=C(F)C(=O)N1CCOCC1.
What is the InChIKey of 2-fluoro-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is MWNUFOGXACHOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2/c1-6(8)7(10)9-2-4-11-5-3-9/h1-5H2.
What are the key properties of 2-fluoro-1-morpholin-4-ylprop-2-en-1-one?
2-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 2-fluoro-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 139371283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).