2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide

C8H8F3NO — CID 54239654

IUPAC2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide
SMILESCC#CC=CCNC(=O)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-2-3-4-5-6-12-7(13)8(9,10)11/h4-5H,6H2,1H3,(H,12,13)
InChIKeyQPBWKRHSSBOZSM-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.24
Rot. Bonds2

About 2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide

2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide (PubChem CID 54239654) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide
PubChem CID54239654
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide
SMILESCC#CC=CCNC(=O)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-2-3-4-5-6-12-7(13)8(9,10)11/h4-5H,6H2,1H3,(H,12,13)
InChIKeyQPBWKRHSSBOZSM-UHFFFAOYSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide (CID 54239654) is 2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide is CC#CC=CCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide?
The InChIKey is QPBWKRHSSBOZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-2-3-4-5-6-12-7(13)8(9,10)11/h4-5H,6H2,1H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide?
2,2,2-trifluoro-N-hex-2-en-4-ynylacetamide has a molecular weight of 191.15 g/mol, XLogP of 1.24, 2 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-2-en-4-ynylacetamide is sourced from PubChem (CID 54239654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).