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

C7H10F3NO — CID 15104483

IUPAC2,2,2-trifluoro-N-pent-4-enylacetamide
SMILESC=CCCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-2-3-4-5-11-6(12)7(8,9)10/h2H,1,3-5H2,(H,11,12)
InChIKeyWLHFBICAYWQPGP-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.63
Rot. Bonds4

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

2,2,2-trifluoro-N-pent-4-enylacetamide (PubChem CID 15104483) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-pent-4-enylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-pent-4-enylacetamide
PubChem CID15104483
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2,2,2-trifluoro-N-pent-4-enylacetamide
SMILESC=CCCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-2-3-4-5-11-6(12)7(8,9)10/h2H,1,3-5H2,(H,11,12)
InChIKeyWLHFBICAYWQPGP-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': '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-pent-4-enylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-pent-4-enylacetamide (CID 15104483) is 2,2,2-trifluoro-N-pent-4-enylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-pent-4-enylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-pent-4-enylacetamide is C=CCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-pent-4-enylacetamide?
The InChIKey is WLHFBICAYWQPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-2-3-4-5-11-6(12)7(8,9)10/h2H,1,3-5H2,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-pent-4-enylacetamide?
2,2,2-trifluoro-N-pent-4-enylacetamide has a molecular weight of 181.16 g/mol, XLogP of 1.63, 4 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-pent-4-enylacetamide is sourced from PubChem (CID 15104483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).