N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide

C9H16F3NO — CID 91614560

IUPACN-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C)C(C)(C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(2)8(3,4)13(5)7(14)9(10,11)12/h6H,1-5H3
InChIKeyJOHQKRIYBVEYPQ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.44
Rot. Bonds2

About N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide

N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 91614560) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID91614560
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C)C(C)(C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(2)8(3,4)13(5)7(14)9(10,11)12/h6H,1-5H3
InChIKeyJOHQKRIYBVEYPQ-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide (CID 91614560) is N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide is CC(C)C(C)(C)N(C)C(=O)C(F)(F)F.
What is the InChIKey of N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is JOHQKRIYBVEYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(2)8(3,4)13(5)7(14)9(10,11)12/h6H,1-5H3.
What are the key properties of N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide?
N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 211.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutan-2-yl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 91614560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).