ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide

C12H24F3NO2 — CID 171550135

IUPACethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
SMILESCC.CC(NC(=O)C(F)(F)F)C(C)OC(C)(C)C
InChIInChI=1S/C10H18F3NO2.C2H6/c1-6(7(2)16-9(3,4)5)14-8(15)10(11,12)13;1-2/h6-7H,1-5H3,(H,14,15);1-2H3
InChIKeyHVHSIJJETFGCRP-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.28
Rot. Bonds3

About ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide

ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide (PubChem CID 171550135) has the molecular formula C12H24F3NO2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
PubChem CID171550135
Molecular FormulaC12H24F3NO2
Molecular Weight271.32 g/mol
Exact Mass271.18
IUPAC Nameethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
SMILESCC.CC(NC(=O)C(F)(F)F)C(C)OC(C)(C)C
InChIInChI=1S/C10H18F3NO2.C2H6/c1-6(7(2)16-9(3,4)5)14-8(15)10(11,12)13;1-2/h6-7H,1-5H3,(H,14,15);1-2H3
InChIKeyHVHSIJJETFGCRP-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide?
The IUPAC name of ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide (CID 171550135) is ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide.
What is the SMILES notation for ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide?
The canonical SMILES for ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide is CC.CC(NC(=O)C(F)(F)F)C(C)OC(C)(C)C.
What is the InChIKey of ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide?
The InChIKey is HVHSIJJETFGCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2.C2H6/c1-6(7(2)16-9(3,4)5)14-8(15)10(11,12)13;1-2/h6-7H,1-5H3,(H,14,15);1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide?
ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide has a molecular weight of 271.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-N-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide is sourced from PubChem (CID 171550135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).