2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide

C8H12F3NO — CID 115640378

IUPAC2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-3-4-5-6-12(2)7(13)8(9,10)11/h3H,1,4-6H2,2H3
InChIKeyOBEGWWJXZWDKGO-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.97
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide

2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide (PubChem CID 115640378) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide
PubChem CID115640378
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-3-4-5-6-12(2)7(13)8(9,10)11/h3H,1,4-6H2,2H3
InChIKeyOBEGWWJXZWDKGO-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-pent-4-enylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide (CID 115640378) is 2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide is C=CCCCN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide?
The InChIKey is OBEGWWJXZWDKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-3-4-5-6-12(2)7(13)8(9,10)11/h3H,1,4-6H2,2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide?
2,2,2-trifluoro-N-methyl-N-pent-4-enylacetamide has a molecular weight of 195.18 g/mol, XLogP of 1.97, 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-pent-4-enylacetamide is sourced from PubChem (CID 115640378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).