3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide

C12H18F6N2O2 — CID 58855379

IUPAC3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide
SMILESCN(CCN1CCOCC1)C(=O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6N2O2/c1-10(11(13,14)15,12(16,17)18)9(21)19(2)3-4-20-5-7-22-8-6-20/h3-8H2,1-2H3
InChIKeyIMWUKMDBOYTSSC-UHFFFAOYSA-N
MW336.28 g/mol
LogP1.91
Rot. Bonds4

About 3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide (PubChem CID 58855379) has the molecular formula C12H18F6N2O2 and a molecular weight of 336.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide
PubChem CID58855379
Molecular FormulaC12H18F6N2O2
Molecular Weight336.28 g/mol
Exact Mass336.13
IUPAC Name3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide
SMILESCN(CCN1CCOCC1)C(=O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6N2O2/c1-10(11(13,14)15,12(16,17)18)9(21)19(2)3-4-20-5-7-22-8-6-20/h3-8H2,1-2H3
InChIKeyIMWUKMDBOYTSSC-UHFFFAOYSA-N
XLogP1.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide (CID 58855379) is 3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide is CN(CCN1CCOCC1)C(=O)C(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide?
The InChIKey is IMWUKMDBOYTSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6N2O2/c1-10(11(13,14)15,12(16,17)18)9(21)19(2)3-4-20-5-7-22-8-6-20/h3-8H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide has a molecular weight of 336.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 58855379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).