1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one

C12H21F3N2O3 — CID 115586570

IUPAC1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one
SMILESO=C(CCNCCCOCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H21F3N2O3/c13-12(14,15)10-20-7-1-3-16-4-2-11(18)17-5-8-19-9-6-17/h16H,1-10H2
InChIKeyGBKVJQRKCVUNHE-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.79
Rot. Bonds8

About 1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one

1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one (PubChem CID 115586570) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one
PubChem CID115586570
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one
SMILESO=C(CCNCCCOCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H21F3N2O3/c13-12(14,15)10-20-7-1-3-16-4-2-11(18)17-5-8-19-9-6-17/h16H,1-10H2
InChIKeyGBKVJQRKCVUNHE-UHFFFAOYSA-N
XLogP0.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
CID 116615757
3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]-1-morpholin-4-ylpropan-1-one
CID 113411382
2-[3-(2-methoxyethoxy)propylamino]-1-morpholin-4-ylethanone
CID 113219536
2-(3-ethoxypropylamino)-1-morpholin-4-ylethanone
CID 28584674
1-morpholin-4-yl-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109015660
3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113411282
3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one
CID 103033572
morpholin-4-yl-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]methanone
CID 71997998
1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one
CID 109011993
2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid
CID 66435738
1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone
CID 62342996
4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 47059248

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one (CID 115586570) is 1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one is O=C(CCNCCCOCC(F)(F)F)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one?
The InChIKey is GBKVJQRKCVUNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c13-12(14,15)10-20-7-1-3-16-4-2-11(18)17-5-8-19-9-6-17/h16H,1-10H2.
What are the key properties of 1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one?
1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one has a molecular weight of 298.31 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one is sourced from PubChem (CID 115586570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).