N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide

C11H20F3NO2 — CID 171733416

IUPACN-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide
SMILESCC(NC(=O)C(C)(CO)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H20F3NO2/c1-7(9(2,3)4)15-8(17)10(5,6-16)11(12,13)14/h7,16H,6H2,1-5H3,(H,15,17)
InChIKeyJUCODOWZCGZEHX-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.10
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide

N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide (PubChem CID 171733416) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide
PubChem CID171733416
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide
SMILESCC(NC(=O)C(C)(CO)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H20F3NO2/c1-7(9(2,3)4)15-8(17)10(5,6-16)11(12,13)14/h7,16H,6H2,1-5H3,(H,15,17)
InChIKeyJUCODOWZCGZEHX-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide (CID 171733416) is N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide is CC(NC(=O)C(C)(CO)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide?
The InChIKey is JUCODOWZCGZEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-7(9(2,3)4)15-8(17)10(5,6-16)11(12,13)14/h7,16H,6H2,1-5H3,(H,15,17).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide?
N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide has a molecular weight of 255.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide is sourced from PubChem (CID 171733416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).