4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide

C12H19F3N2O3 — CID 97007236

IUPAC4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide
SMILESCC[C@@H](NC(=O)CCC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C12H19F3N2O3/c1-2-9(11(19)17-5-7-20-8-6-17)16-10(18)3-4-12(13,14)15/h9H,2-8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyPBSQOEAEOROTSM-SECBINFHSA-N
MW296.29 g/mol
LogP1.08
Rot. Bonds5

About 4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide

4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide (PubChem CID 97007236) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide
PubChem CID97007236
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide
SMILESCC[C@@H](NC(=O)CCC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C12H19F3N2O3/c1-2-9(11(19)17-5-7-20-8-6-17)16-10(18)3-4-12(13,14)15/h9H,2-8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyPBSQOEAEOROTSM-SECBINFHSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide with MolForge

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Related Compounds

N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736
N-(1-morpholin-4-yl-1-oxobutan-2-yl)morpholine-2-carboxamide
CID 119810252
1-[(3R)-4-methylpent-1-yn-3-yl]-3-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]urea
CID 100690427
N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119940120
(2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120637145
N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide
CID 155056024
(2S,5R)-5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxobutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120795511
[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
CID 175945134
2-amino-N-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide
CID 143447843
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]-3-phenylprop-2-ynamide
CID 97011203
3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 112700894

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide (CID 97007236) is 4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide is CC[C@@H](NC(=O)CCC(F)(F)F)C(=O)N1CCOCC1.
What is the InChIKey of 4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide?
The InChIKey is PBSQOEAEOROTSM-SECBINFHSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-2-9(11(19)17-5-7-20-8-6-17)16-10(18)3-4-12(13,14)15/h9H,2-8H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of 4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide?
4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide has a molecular weight of 296.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide is sourced from PubChem (CID 97007236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).