1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate

C9H15F2NO3 — CID 58855390

IUPAC1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate
SMILESCC(CN1CCOCC1)OC(=O)C(F)F
InChIInChI=1S/C9H15F2NO3/c1-7(15-9(13)8(10)11)6-12-2-4-14-5-3-12/h7-8H,2-6H2,1H3
InChIKeyHYCYSKQVSHVBBP-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.52
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate

1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate (PubChem CID 58855390) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate
PubChem CID58855390
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate
SMILESCC(CN1CCOCC1)OC(=O)C(F)F
InChIInChI=1S/C9H15F2NO3/c1-7(15-9(13)8(10)11)6-12-2-4-14-5-3-12/h7-8H,2-6H2,1H3
InChIKeyHYCYSKQVSHVBBP-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

N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
N-(2-Acetoxypropyl)morpholine
CID 22706844
4-Methylmorpholine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 17843040
2-Morpholin-4-ylethyl 2,2,2-trifluoroacetate
CID 17857588
2-Piperidin-1-ylethyl 2,2,2-trifluoroacetate
CID 17857660
4-(1,1,2,2,3,3-Hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
CID 18725573
4-Methylmorpholine;2,2,2-trifluoroacetic acid
CID 21271055
2-Fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine
CID 23550516
Morpholin-4-ylmethyl 2,2-difluoropropanoate
CID 58341547
2,2-Difluoropropyl 2-morpholin-4-ylacetate
CID 58341548
4-Morpholin-4-ylbutyl 2,2-difluoropropanoate
CID 58341555
2-Morpholin-4-ylethyl 2,2-difluoropropanoate
CID 58341558

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate (CID 58855390) is 1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate is CC(CN1CCOCC1)OC(=O)C(F)F.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate?
The InChIKey is HYCYSKQVSHVBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-7(15-9(13)8(10)11)6-12-2-4-14-5-3-12/h7-8H,2-6H2,1H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate?
1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate 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 1-morpholin-4-ylpropan-2-yl 2,2-difluoroacetate is sourced from PubChem (CID 58855390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).