2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide

C8H10F3NO — CID 78941955

IUPAC2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide
SMILESC#CCN(CCC)C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-3-5-12(6-4-2)7(13)8(9,10)11/h1H,4-6H2,2H3
InChIKeyUQBACJYWDUXWOE-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.42
Rot. Bonds3

About 2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide

2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide (PubChem CID 78941955) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide
PubChem CID78941955
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide
SMILESC#CCN(CCC)C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-3-5-12(6-4-2)7(13)8(9,10)11/h1H,4-6H2,2H3
InChIKeyUQBACJYWDUXWOE-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.42
H-Bond Donors ≤ 50
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-propyl-N-prop-2-ynylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide (CID 78941955) is 2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide is C#CCN(CCC)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide?
The InChIKey is UQBACJYWDUXWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-3-5-12(6-4-2)7(13)8(9,10)11/h1H,4-6H2,2H3.
What are the key properties of 2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide?
2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide has a molecular weight of 193.17 g/mol, XLogP of 1.42, 3 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-propyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 78941955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).