2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide

C8H10F3NO — CID 10535774

IUPAC2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide
SMILESC=CC(/C=C/C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-3-5-6(4-2)12-7(13)8(9,10)11/h3-6H,2H2,1H3,(H,12,13)/b5-3+
InChIKeyQZCDFCVSCPZZIG-HWKANZROSA-N
MW193.17 g/mol
LogP1.80
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide

2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide (PubChem CID 10535774) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide
PubChem CID10535774
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide
SMILESC=CC(/C=C/C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-3-5-6(4-2)12-7(13)8(9,10)11/h3-6H,2H2,1H3,(H,12,13)/b5-3+
InChIKeyQZCDFCVSCPZZIG-HWKANZROSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(Cyclohex-3-en-1-yl)-2,2,2-trifluoroacetamide
CID 11084723
5-Trifluoromethyl-3-pyrrolin-2-one
CID 129878365
2,2,2-trifluoro-N-hexa-1,5-dien-3-ylacetamide
CID 134894143
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
CID 14120807
2,2,2-trifluoro-N-pent-4-en-2-ylacetamide
CID 18970201
N-[(E)-4-amino-5-fluoropent-2-enyl]butanamide
CID 20466292
2-amino-N-[(E)-5-amino-1,1-difluoropent-3-en-2-yl]acetamide
CID 20466306
2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide
CID 22418689
2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide
CID 54123269
N-(4-amino-5-fluoropent-2-enyl)butanamide
CID 54168315
2,2,2-trifluoro-N-(4-methylpent-2-enyl)acetamide
CID 54345745
N-but-2-enyl-2,2,2-trifluoroacetamide
CID 57244086

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide (CID 10535774) is 2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide is C=CC(/C=C/C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide?
The InChIKey is QZCDFCVSCPZZIG-HWKANZROSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-3-5-6(4-2)12-7(13)8(9,10)11/h3-6H,2H2,1H3,(H,12,13)/b5-3+.
What are the key properties of 2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide?
2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide has a molecular weight of 193.17 g/mol, XLogP of 1.80, 3 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-[(4E)-hexa-1,4-dien-3-yl]acetamide is sourced from PubChem (CID 10535774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).