2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane

C11H21F5N2O — CID 143058228

IUPAC2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane
SMILESCC.CC(C)C(F)(F)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F5N2O.C2H6/c1-6(2)8(10,11)4-15-3-7(17)16-5-9(12,13)14;1-2/h6,15H,3-5H2,1-2H3,(H,16,17);1-2H3
InChIKeyNGPUHTJQMUWUIY-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.57
Rot. Bonds6

About 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane

2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane (PubChem CID 143058228) has the molecular formula C11H21F5N2O and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane.

Molecular Properties

Compound Name2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane
PubChem CID143058228
Molecular FormulaC11H21F5N2O
Molecular Weight292.29 g/mol
Exact Mass292.16
IUPAC Name2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane
SMILESCC.CC(C)C(F)(F)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F5N2O.C2H6/c1-6(2)8(10,11)4-15-3-7(17)16-5-9(12,13)14;1-2/h6,15H,3-5H2,1-2H3,(H,16,17);1-2H3
InChIKeyNGPUHTJQMUWUIY-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane?
The IUPAC name of 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane (CID 143058228) is 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane.
What is the SMILES notation for 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane?
The canonical SMILES for 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane is CC.CC(C)C(F)(F)CNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane?
The InChIKey is NGPUHTJQMUWUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F5N2O.C2H6/c1-6(2)8(10,11)4-15-3-7(17)16-5-9(12,13)14;1-2/h6,15H,3-5H2,1-2H3,(H,16,17);1-2H3.
What are the key properties of 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane?
2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane has a molecular weight of 292.29 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide;ethane is sourced from PubChem (CID 143058228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).