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

C11H22F3NO — CID 171534278

IUPACN-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane
SMILESCC(NC(=O)C(F)(F)F)C(C)(C)C.CCC
InChIInChI=1S/C8H14F3NO.C3H8/c1-5(7(2,3)4)12-6(13)8(9,10)11;1-3-2/h5H,1-4H3,(H,12,13);3H2,1-2H3
InChIKeyCPNLQXAZHVWXIZ-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.52
Rot. Bonds1

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

N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane (PubChem CID 171534278) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane
PubChem CID171534278
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane
SMILESCC(NC(=O)C(F)(F)F)C(C)(C)C.CCC
InChIInChI=1S/C8H14F3NO.C3H8/c1-5(7(2,3)4)12-6(13)8(9,10)11;1-3-2/h5H,1-4H3,(H,12,13);3H2,1-2H3
InChIKeyCPNLQXAZHVWXIZ-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.52
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;propane?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane (CID 171534278) is N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane is CC(NC(=O)C(F)(F)F)C(C)(C)C.CCC.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane?
The InChIKey is CPNLQXAZHVWXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO.C3H8/c1-5(7(2,3)4)12-6(13)8(9,10)11;1-3-2/h5H,1-4H3,(H,12,13);3H2,1-2H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane?
N-(3,3-dimethylbutan-2-yl)-2,2,2-trifluoroacetamide;propane has a molecular weight of 241.30 g/mol, XLogP of 3.52, 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;propane is sourced from PubChem (CID 171534278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).