propane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide

C11H22F3NO2 — CID 169193298

IUPACpropane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide
SMILESCCC.COCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2.C3H8/c1-7(2,5-14-3)4-12-6(13)8(9,10)11;1-3-2/h4-5H2,1-3H3,(H,12,13);3H2,1-2H3
InChIKeyWUVYYUTXBOSZMN-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.75
Rot. Bonds4

About propane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide

propane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide (PubChem CID 169193298) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is propane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Namepropane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide
PubChem CID169193298
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Namepropane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide
SMILESCCC.COCC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2.C3H8/c1-7(2,5-14-3)4-12-6(13)8(9,10)11;1-3-2/h4-5H2,1-3H3,(H,12,13);3H2,1-2H3
InChIKeyWUVYYUTXBOSZMN-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide?
The IUPAC name of propane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide (CID 169193298) is propane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide.
What is the SMILES notation for propane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide?
The canonical SMILES for propane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide is CCC.COCC(C)(C)CNC(=O)C(F)(F)F.
What is the InChIKey of propane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide?
The InChIKey is WUVYYUTXBOSZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2.C3H8/c1-7(2,5-14-3)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-(3-methoxy-2,2-dimethylpropyl)acetamide?
propane;2,2,2-trifluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide has a molecular weight of 257.30 g/mol, XLogP of 2.75, 4 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-(3-methoxy-2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 169193298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).