2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one

C10H18F2N2O3 — CID 114154249

IUPAC2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCC(F)(F)CO)C(=O)N1CCOCC1
InChIInChI=1S/C10H18F2N2O3/c1-8(13-6-10(11,12)7-15)9(16)14-2-4-17-5-3-14/h8,13,15H,2-7H2,1H3
InChIKeyRJORVWAKEORNNP-UHFFFAOYSA-N
MW252.26 g/mol
LogP-0.55
Rot. Bonds5

About 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one

2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 114154249) has the molecular formula C10H18F2N2O3 and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID114154249
Molecular FormulaC10H18F2N2O3
Molecular Weight252.26 g/mol
Exact Mass252.13
IUPAC Name2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NCC(F)(F)CO)C(=O)N1CCOCC1
InChIInChI=1S/C10H18F2N2O3/c1-8(13-6-10(11,12)7-15)9(16)14-2-4-17-5-3-14/h8,13,15H,2-7H2,1H3
InChIKeyRJORVWAKEORNNP-UHFFFAOYSA-N
XLogP-0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
2-(Methoxymethyl)-1-(trifluoroacetyl)piperazine
CID 21295713
2,2,2-Trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 59815604
(3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 67429832
2,2,2-Trifluoro-N-((1-(2-(2-hydroxyethoxy)ethyl)piperazin-2-yl)methyl)acetamide
CID 86711150
(2S)-3-(difluoromethoxy)-2-[[(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanoic acid
CID 118236152
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534
(6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione
CID 146435298
2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 166752845
2-(propan-2-ylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 169948883
2-(propan-2-ylamino)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 169948884
2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 175626370

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one (CID 114154249) is 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one is CC(NCC(F)(F)CO)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is RJORVWAKEORNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O3/c1-8(13-6-10(11,12)7-15)9(16)14-2-4-17-5-3-14/h8,13,15H,2-7H2,1H3.
What are the key properties of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one?
2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 252.26 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 114154249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).