2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one

C11H20F2N2O3 — CID 107485176

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N(CCO)CC(F)F
InChIInChI=1S/C11H20F2N2O3/c1-9(15(2-5-16)8-10(12)13)11(17)14-3-6-18-7-4-14/h9-10,16H,2-8H2,1H3
InChIKeyIIBOYYPOQGQQBM-UHFFFAOYSA-N
MW266.29 g/mol
LogP-0.21
Rot. Bonds6

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 107485176) has the molecular formula C11H20F2N2O3 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID107485176
Molecular FormulaC11H20F2N2O3
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N(CCO)CC(F)F
InChIInChI=1S/C11H20F2N2O3/c1-9(15(2-5-16)8-10(12)13)11(17)14-3-6-18-7-4-14/h9-10,16H,2-8H2,1H3
InChIKeyIIBOYYPOQGQQBM-UHFFFAOYSA-N
XLogP-0.21
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 121221521
2-[cyclobutyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 102870010
2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 62021785
3-[ethyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-methylpropanoic acid
CID 62853315
2-[3-aminopropyl(ethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 43137254
2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 82041151
2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63287403
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-morpholin-4-ylpropan-1-one
CID 79661173
2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile
CID 54983450
2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one
CID 61015072
methyl 2-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]acetate
CID 60660390
2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63225345

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one (CID 107485176) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)N(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is IIBOYYPOQGQQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O3/c1-9(15(2-5-16)8-10(12)13)11(17)14-3-6-18-7-4-14/h9-10,16H,2-8H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 266.29 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 107485176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).