3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide

C6H11F3N2O — CID 60890804

IUPAC3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(CC(F)(F)F)C(=O)CCN
InChIInChI=1S/C6H11F3N2O/c1-11(4-6(7,8)9)5(12)2-3-10/h2-4,10H2,1H3
InChIKeyCTVCSHJXDJATGI-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.36
Rot. Bonds3

About 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide

3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60890804) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60890804
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(CC(F)(F)F)C(=O)CCN
InChIInChI=1S/C6H11F3N2O/c1-11(4-6(7,8)9)5(12)2-3-10/h2-4,10H2,1H3
InChIKeyCTVCSHJXDJATGI-UHFFFAOYSA-N
XLogP0.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-n-propylacetamide
CID 580996
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5094771
3-amino-N,N-diethylpropanamide
CID 16793555
N-(3-aminopropyl)-2,2,2-trifluoroacetamide hydrochloride
CID 71752754
2,2,2-trifluoro-N-(3-(methylamino)propyl)acetamide
CID 58587431
N-(3,3,3-trifluoropropyl)acetamide
CID 59218642
N-butyl-2,2-difluoropropanamide
CID 88580779
2,2,3,3,3-Pentafluoro-N-propylpropanamide
CID 12647416
N,N-Diethyl-beta-alaninamide--hydrogen chloride (1/1)
CID 17750337
3,3-Difluoro-1,5-diazocan-2-one
CID 132398589
2-fluoro-N-(2-fluoroethyl)-propionamide
CID 76225547
3-amino-N-propylpropanamide
CID 16789226

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 60890804) is 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is CN(CC(F)(F)F)C(=O)CCN.
What is the InChIKey of 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CTVCSHJXDJATGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-11(4-6(7,8)9)5(12)2-3-10/h2-4,10H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 184.16 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60890804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).