2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide

C12H18F6N2O3 — CID 142800671

IUPAC2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide
SMILESCC(CCNC(=O)C(F)(F)F)OC(C)CCNC(=O)C(F)(F)F
InChIInChI=1S/C12H18F6N2O3/c1-7(3-5-19-9(21)11(13,14)15)23-8(2)4-6-20-10(22)12(16,17)18/h7-8H,3-6H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDDVUDOKSCLJVGM-UHFFFAOYSA-N
MW352.28 g/mol
LogP1.92
Rot. Bonds8

About 2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide

2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide (PubChem CID 142800671) has the molecular formula C12H18F6N2O3 and a molecular weight of 352.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide
PubChem CID142800671
Molecular FormulaC12H18F6N2O3
Molecular Weight352.28 g/mol
Exact Mass352.12
IUPAC Name2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide
SMILESCC(CCNC(=O)C(F)(F)F)OC(C)CCNC(=O)C(F)(F)F
InChIInChI=1S/C12H18F6N2O3/c1-7(3-5-19-9(21)11(13,14)15)23-8(2)4-6-20-10(22)12(16,17)18/h7-8H,3-6H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDDVUDOKSCLJVGM-UHFFFAOYSA-N
XLogP1.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide (CID 142800671) is 2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide is CC(CCNC(=O)C(F)(F)F)OC(C)CCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide?
The InChIKey is DDVUDOKSCLJVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6N2O3/c1-7(3-5-19-9(21)11(13,14)15)23-8(2)4-6-20-10(22)12(16,17)18/h7-8H,3-6H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide?
2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide has a molecular weight of 352.28 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide is sourced from PubChem (CID 142800671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).