propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide

C11H22F3NO2 — CID 169193293

IUPACpropane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
SMILESCC(C)(C)OCCNC(=O)C(F)(F)F.CCC
InChIInChI=1S/C8H14F3NO2.C3H8/c1-7(2,3)14-5-4-12-6(13)8(9,10)11;1-3-2/h4-5H2,1-3H3,(H,12,13);3H2,1-2H3
InChIKeyDCHFJEDIVDWPOX-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.90
Rot. Bonds3

About propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide

propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide (PubChem CID 169193293) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide.

Molecular Properties

Compound Namepropane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
PubChem CID169193293
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Namepropane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
SMILESCC(C)(C)OCCNC(=O)C(F)(F)F.CCC
InChIInChI=1S/C8H14F3NO2.C3H8/c1-7(2,3)14-5-4-12-6(13)8(9,10)11;1-3-2/h4-5H2,1-3H3,(H,12,13);3H2,1-2H3
InChIKeyDCHFJEDIVDWPOX-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide?
The IUPAC name of propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide (CID 169193293) is propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide.
What is the SMILES notation for propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide?
The canonical SMILES for propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide is CC(C)(C)OCCNC(=O)C(F)(F)F.CCC.
What is the InChIKey of propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide?
The InChIKey is DCHFJEDIVDWPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2.C3H8/c1-7(2,3)14-5-4-12-6(13)8(9,10)11;1-3-2/h4-5H2,1-3H3,(H,12,13);3H2,1-2H3.
What are the key properties of propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide?
propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide has a molecular weight of 257.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide is sourced from PubChem (CID 169193293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).