2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide

C7H10F3NO — CID 21042362

IUPAC2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide
SMILESC/C=C(\C)CNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-5(2)4-11-6(12)7(8,9)10/h3H,4H2,1-2H3,(H,11,12)/b5-3+
InChIKeyOKUNQBUGMQJQLM-HWKANZROSA-N
MW181.16 g/mol
LogP1.63
Rot. Bonds2

About 2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide

2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide (PubChem CID 21042362) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide
PubChem CID21042362
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide
SMILESC/C=C(\C)CNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-5(2)4-11-6(12)7(8,9)10/h3H,4H2,1-2H3,(H,11,12)/b5-3+
InChIKeyOKUNQBUGMQJQLM-HWKANZROSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide (CID 21042362) is 2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide is C/C=C(\C)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide?
The InChIKey is OKUNQBUGMQJQLM-HWKANZROSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-3-5(2)4-11-6(12)7(8,9)10/h3H,4H2,1-2H3,(H,11,12)/b5-3+.
What are the key properties of 2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide?
2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide has a molecular weight of 181.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide is sourced from PubChem (CID 21042362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).