2,2,2-trifluoro-N-hex-5-enylacetamide

C8H12F3NO — CID 10488084

IUPAC2,2,2-trifluoro-N-hex-5-enylacetamide
SMILESC=CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-2-3-4-5-6-12-7(13)8(9,10)11/h2H,1,3-6H2,(H,12,13)
InChIKeyXSFNUGPPXZDISA-UHFFFAOYSA-N
MW195.18 g/mol
LogP2.02
Rot. Bonds5

About 2,2,2-trifluoro-N-hex-5-enylacetamide

2,2,2-trifluoro-N-hex-5-enylacetamide (PubChem CID 10488084) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-hex-5-enylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-hex-5-enylacetamide
PubChem CID10488084
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name2,2,2-trifluoro-N-hex-5-enylacetamide
SMILESC=CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-2-3-4-5-6-12-7(13)8(9,10)11/h2H,1,3-6H2,(H,12,13)
InChIKeyXSFNUGPPXZDISA-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.02
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-hex-5-enylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-hex-5-enylacetamide (CID 10488084) is 2,2,2-trifluoro-N-hex-5-enylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-hex-5-enylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-hex-5-enylacetamide is C=CCCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-hex-5-enylacetamide?
The InChIKey is XSFNUGPPXZDISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-2-3-4-5-6-12-7(13)8(9,10)11/h2H,1,3-6H2,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-hex-5-enylacetamide?
2,2,2-trifluoro-N-hex-5-enylacetamide has a molecular weight of 195.18 g/mol, XLogP of 2.02, 5 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-hex-5-enylacetamide is sourced from PubChem (CID 10488084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).