N-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide

C11H20F3NO — CID 587683

IUPACN-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCCCCC(CC)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-4-6-7-9(5-2)8-15(3)10(16)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeySAWCYQHTGZEQNM-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.22
Rot. Bonds6

About N-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide

N-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 587683) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID587683
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCCCCC(CC)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-4-6-7-9(5-2)8-15(3)10(16)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeySAWCYQHTGZEQNM-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide (CID 587683) is N-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide is CCCCC(CC)CN(C)C(=O)C(F)(F)F.
What is the InChIKey of N-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is SAWCYQHTGZEQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-6-7-9(5-2)8-15(3)10(16)11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide?
N-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 239.28 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 587683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).