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

C9H18F3N3O — CID 43753132

IUPAC2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)C(CCN)C(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-14(2)8(16)6-15(3)7(4-5-13)9(10,11)12/h7H,4-6,13H2,1-3H3
InChIKeyGRXITELCCQGIGJ-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.29
Rot. Bonds5

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

2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N,N-dimethylacetamide (PubChem CID 43753132) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N,N-dimethylacetamide
PubChem CID43753132
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)C(CCN)C(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-14(2)8(16)6-15(3)7(4-5-13)9(10,11)12/h7H,4-6,13H2,1-3H3
InChIKeyGRXITELCCQGIGJ-UHFFFAOYSA-N
XLogP0.29
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
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,N-dimethylacetamide?
The IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N,N-dimethylacetamide (CID 43753132) is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N,N-dimethylacetamide is CN(C)C(=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,N-dimethylacetamide?
The InChIKey is GRXITELCCQGIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c1-14(2)8(16)6-15(3)7(4-5-13)9(10,11)12/h7H,4-6,13H2,1-3H3.
What are the key properties of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N,N-dimethylacetamide?
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 241.26 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 43753132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).