N,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

C10H17F3N2O2 — CID 172907235

IUPACN,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCN(C)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H17F3N2O2/c1-9(2,3)6(7(16)15(4)5)14-8(17)10(11,12)13/h6H,1-5H3,(H,14,17)
InChIKeyYKLYJYZPFCBNHY-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.17
Rot. Bonds2

About N,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

N,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 172907235) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound NameN,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID172907235
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCN(C)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H17F3N2O2/c1-9(2,3)6(7(16)15(4)5)14-8(17)10(11,12)13/h6H,1-5H3,(H,14,17)
InChIKeyYKLYJYZPFCBNHY-UHFFFAOYSA-N
XLogP1.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of N,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 172907235) is N,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for N,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for N,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is CN(C)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is YKLYJYZPFCBNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-9(2,3)6(7(16)15(4)5)14-8(17)10(11,12)13/h6H,1-5H3,(H,14,17).
What are the key properties of N,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
N,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 254.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,3-tetramethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 172907235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).