N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane

C10H20F3NO — CID 165393873

IUPACN-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane
SMILESCC.CC(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C8H14F3NO.C2H6/c1-5(7(2,3)4)12-6(13)8(9,10)11;1-2/h5H,1-4H3,(H,12,13);1-2H3
InChIKeyZYJJGOKZYYNISF-UHFFFAOYSA-N
MW227.27 g/mol
LogP3.13
Rot. Bonds1

About N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane

N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane (PubChem CID 165393873) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane
PubChem CID165393873
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane
SMILESCC.CC(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C8H14F3NO.C2H6/c1-5(7(2,3)4)12-6(13)8(9,10)11;1-2/h5H,1-4H3,(H,12,13);1-2H3
InChIKeyZYJJGOKZYYNISF-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane (CID 165393873) is N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane is CC.CC(NC(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane?
The InChIKey is ZYJJGOKZYYNISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO.C2H6/c1-5(7(2,3)4)12-6(13)8(9,10)11;1-2/h5H,1-4H3,(H,12,13);1-2H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane?
N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane has a molecular weight of 227.27 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;ethane is sourced from PubChem (CID 165393873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).