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

C10H20F3N3O — CID 43753183

IUPAC2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)C(CCN)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-4-16(7-9(17)15(2)3)8(5-6-14)10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyWKNBTWLYJQPACY-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.68
Rot. Bonds6

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

2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 43753183) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-N,N-dimethylacetamide
PubChem CID43753183
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)C(CCN)C(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-4-16(7-9(17)15(2)3)8(5-6-14)10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyWKNBTWLYJQPACY-UHFFFAOYSA-N
XLogP0.68
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.68
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)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-N,N-dimethylacetamide (CID 43753183) is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)C(CCN)C(F)(F)F.
What is the InChIKey of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is WKNBTWLYJQPACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-4-16(7-9(17)15(2)3)8(5-6-14)10(11,12)13/h8H,4-7,14H2,1-3H3.
What are the key properties of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-N,N-dimethylacetamide?
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 255.28 g/mol, XLogP of 0.68, 6 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)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43753183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).