2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide

C8H16F3N3O — CID 43753131

IUPAC2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(CCN)C(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-13-7(15)5-14(2)6(3-4-12)8(9,10)11/h6H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyAGEYDIZLTAMLGR-UHFFFAOYSA-N
MW227.23 g/mol
LogP-0.06
Rot. Bonds5

About 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide

2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide (PubChem CID 43753131) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide
PubChem CID43753131
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(CCN)C(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-13-7(15)5-14(2)6(3-4-12)8(9,10)11/h6H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyAGEYDIZLTAMLGR-UHFFFAOYSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide (CID 43753131) is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)C(CCN)C(F)(F)F.
What is the InChIKey of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide?
The InChIKey is AGEYDIZLTAMLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-13-7(15)5-14(2)6(3-4-12)8(9,10)11/h6H,3-5,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide?
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide has a molecular weight of 227.23 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 43753131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).