4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide

C12H18F6N2O2 — CID 58855383

IUPAC4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide
SMILESCN(CCN1CCOCC1)C(=O)CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6N2O2/c1-19(2-3-20-4-6-22-7-5-20)10(21)8-9(11(13,14)15)12(16,17)18/h9H,2-8H2,1H3
InChIKeyIDXRCMYARLNMLF-UHFFFAOYSA-N
MW336.28 g/mol
LogP1.91
Rot. Bonds5

About 4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide

4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide (PubChem CID 58855383) has the molecular formula C12H18F6N2O2 and a molecular weight of 336.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide
PubChem CID58855383
Molecular FormulaC12H18F6N2O2
Molecular Weight336.28 g/mol
Exact Mass336.13
IUPAC Name4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide
SMILESCN(CCN1CCOCC1)C(=O)CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6N2O2/c1-19(2-3-20-4-6-22-7-5-20)10(21)8-9(11(13,14)15)12(16,17)18/h9H,2-8H2,1H3
InChIKeyIDXRCMYARLNMLF-UHFFFAOYSA-N
XLogP1.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-Heptafluorobutyrylmorpholine
CID 544635
3-Methyl-1-morpholin-4-ylbutan-1-one
CID 4557865
4-(2-Methylbutanoyl)morpholine
CID 4631080
1-(Morpholin-4-yl)-2,2-bis(trifluoromethyl)butan-1-one
CID 19577291
3,3,3-Trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one
CID 22964136
2,2-Difluoro-4-methyl-1-morpholin-4-ylpentan-1-one
CID 57700630
3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide
CID 58855379
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
CID 58855382
4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
CID 58855398
2,2,3,3-tetrafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 58855415
2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 58855449
2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 58855467

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide (CID 58855383) is 4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide is CN(CCN1CCOCC1)C(=O)CC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide?
The InChIKey is IDXRCMYARLNMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6N2O2/c1-19(2-3-20-4-6-22-7-5-20)10(21)8-9(11(13,14)15)12(16,17)18/h9H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide?
4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide has a molecular weight of 336.28 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)butanamide is sourced from PubChem (CID 58855383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).