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

C7H12F2N2O2 — CID 130600801

IUPAC3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one
SMILESNCC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C7H12F2N2O2/c8-7(9,5-10)6(12)11-1-3-13-4-2-11/h1-5,10H2
InChIKeyOAGKXDJCOUTDBK-UHFFFAOYSA-N
MW194.18 g/mol
LogP-0.56
Rot. Bonds2

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

3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one (PubChem CID 130600801) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one
PubChem CID130600801
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one
SMILESNCC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C7H12F2N2O2/c8-7(9,5-10)6(12)11-1-3-13-4-2-11/h1-5,10H2
InChIKeyOAGKXDJCOUTDBK-UHFFFAOYSA-N
XLogP-0.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one
CID 139403937
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
5-ethyl-2,2-difluoro-4-methylidene-1-morpholin-4-ylheptan-1-one
CID 168720301
3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one
CID 130706008
(E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one
CID 168720239
2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone
CID 1356929
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-1-morpholin-4-ylethanone
CID 62007959
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
N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide
CID 79154886
dimethyl 2-[3-(2,2-difluoro-3-morpholin-4-yl-3-oxopropyl)cyclohex-3-en-1-yl]propanedioate
CID 170555190

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one (CID 130600801) is 3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one is NCC(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one?
The InChIKey is OAGKXDJCOUTDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-7(9,5-10)6(12)11-1-3-13-4-2-11/h1-5,10H2.
What are the key properties of 3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one?
3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one has a molecular weight of 194.18 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 130600801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).