2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide

C9H11F6NO — CID 145333571

IUPAC2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide
SMILESCN(CC/C=C/CC(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C9H11F6NO/c1-16(7(17)9(13,14)15)6-4-2-3-5-8(10,11)12/h2-3H,4-6H2,1H3/b3-2+
InChIKeyCYAYYISNVXKACW-NSCUHMNNSA-N
MW263.18 g/mol
LogP2.91
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide

2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide (PubChem CID 145333571) has the molecular formula C9H11F6NO and a molecular weight of 263.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide
PubChem CID145333571
Molecular FormulaC9H11F6NO
Molecular Weight263.18 g/mol
Exact Mass263.07
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide
SMILESCN(CC/C=C/CC(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C9H11F6NO/c1-16(7(17)9(13,14)15)6-4-2-3-5-8(10,11)12/h2-3H,4-6H2,1H3/b3-2+
InChIKeyCYAYYISNVXKACW-NSCUHMNNSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 52.91
H-Bond Donors ≤ 50
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-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide (CID 145333571) is 2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide is CN(CC/C=C/CC(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide?
The InChIKey is CYAYYISNVXKACW-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H11F6NO/c1-16(7(17)9(13,14)15)6-4-2-3-5-8(10,11)12/h2-3H,4-6H2,1H3/b3-2+.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide has a molecular weight of 263.18 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(E)-6,6,6-trifluorohex-3-enyl]acetamide is sourced from PubChem (CID 145333571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).