2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one

C8H13F2NO3 — CID 139403937

IUPAC2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one
SMILESCOCC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C8H13F2NO3/c1-13-6-8(9,10)7(12)11-2-4-14-5-3-11/h2-6H2,1H3
InChIKeyWZTLVSIHOMPVAE-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.13
Rot. Bonds3

About 2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one

2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one (PubChem CID 139403937) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one
PubChem CID139403937
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one
SMILESCOCC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C8H13F2NO3/c1-13-6-8(9,10)7(12)11-2-4-14-5-3-11/h2-6H2,1H3
InChIKeyWZTLVSIHOMPVAE-UHFFFAOYSA-N
XLogP0.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one
CID 130600801
5-ethyl-2,2-difluoro-4-methylidene-1-morpholin-4-ylheptan-1-one
CID 168720301
(E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one
CID 168720239
2,2,3,3-tetrafluoro-1-morpholin-4-ylpropan-1-one
CID 3621669
phosphoric acid;bis(2,2,2-trifluoro-1-morpholin-4-ylethanone)
CID 118496995
3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid
CID 62534902
methyl morpholine-4-carboxylate
CID 12575354
dimethyl 2-[3-(2,2-difluoro-3-morpholin-4-yl-3-oxopropyl)cyclohex-3-en-1-yl]propanedioate
CID 170555190
2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone
CID 1356929
2-fluoro-2-methyl-1-(1,3-oxazolidin-3-yl)propan-1-one
CID 166896616
2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one
CID 23551857
1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one
CID 82722110

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one (CID 139403937) is 2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one is COCC(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one?
The InChIKey is WZTLVSIHOMPVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-13-6-8(9,10)7(12)11-2-4-14-5-3-11/h2-6H2,1H3.
What are the key properties of 2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one?
2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one has a molecular weight of 209.19 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 139403937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).