2,2-difluoropropyl 2-morpholin-4-ylacetate

C9H15F2NO3 — CID 58341548

IUPAC2,2-difluoropropyl 2-morpholin-4-ylacetate
SMILESCC(F)(F)COC(=O)CN1CCOCC1
InChIInChI=1S/C9H15F2NO3/c1-9(10,11)7-15-8(13)6-12-2-4-14-5-3-12/h2-7H2,1H3
InChIKeySUWSSNWCNJKSCA-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.52
Rot. Bonds4

About 2,2-difluoropropyl 2-morpholin-4-ylacetate

2,2-difluoropropyl 2-morpholin-4-ylacetate (PubChem CID 58341548) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 2,2-difluoropropyl 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name2,2-difluoropropyl 2-morpholin-4-ylacetate
PubChem CID58341548
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name2,2-difluoropropyl 2-morpholin-4-ylacetate
SMILESCC(F)(F)COC(=O)CN1CCOCC1
InChIInChI=1S/C9H15F2NO3/c1-9(10,11)7-15-8(13)6-12-2-4-14-5-3-12/h2-7H2,1H3
InChIKeySUWSSNWCNJKSCA-UHFFFAOYSA-N
XLogP0.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl Morpholinoacetate
CID 1268178
2-(4-Methylmorpholin-4-ium-4-yl)acetate
CID 5249656
Ethyl 2-Morpholinoacetate
CID 2734105
N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
2-(Diethylamino)ethyl 2,2,2-trifluoroacetate
CID 59204074
4-(2-Hydroxyethyl)-4-methyl-2-oxomorpholinium trifluoroacetate
CID 163203754
4,4-Dimethylmorpholin-4-ium-2-one
CID 145673
N-methyl-2-morpholinone
CID 519559
N-ethylmorpholin-2-one
CID 12409454
Methyl 2-(4-morpholinyl)propanoate
CID 15164418
Isopropyl-2-morpholinoacetate
CID 53264241
Methyl (2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetate
CID 91694256

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl 2-morpholin-4-ylacetate?
The IUPAC name of 2,2-difluoropropyl 2-morpholin-4-ylacetate (CID 58341548) is 2,2-difluoropropyl 2-morpholin-4-ylacetate.
What is the SMILES notation for 2,2-difluoropropyl 2-morpholin-4-ylacetate?
The canonical SMILES for 2,2-difluoropropyl 2-morpholin-4-ylacetate is CC(F)(F)COC(=O)CN1CCOCC1.
What is the InChIKey of 2,2-difluoropropyl 2-morpholin-4-ylacetate?
The InChIKey is SUWSSNWCNJKSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-9(10,11)7-15-8(13)6-12-2-4-14-5-3-12/h2-7H2,1H3.
What are the key properties of 2,2-difluoropropyl 2-morpholin-4-ylacetate?
2,2-difluoropropyl 2-morpholin-4-ylacetate has a molecular weight of 223.22 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropyl 2-morpholin-4-ylacetate is sourced from PubChem (CID 58341548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).