2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide

C8H10F3NO2 — CID 89056674

IUPAC2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide
SMILESC#CCOCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c1-2-5-14-6-3-4-12-7(13)8(9,10)11/h1H,3-6H2,(H,12,13)
InChIKeyOYYSYSXPVVKLRS-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.70
Rot. Bonds5

About 2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide

2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide (PubChem CID 89056674) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide
PubChem CID89056674
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide
SMILESC#CCOCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c1-2-5-14-6-3-4-12-7(13)8(9,10)11/h1H,3-6H2,(H,12,13)
InChIKeyOYYSYSXPVVKLRS-UHFFFAOYSA-N
XLogP0.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-prop-2-ynoxypropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide (CID 89056674) is 2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide is C#CCOCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide?
The InChIKey is OYYSYSXPVVKLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c1-2-5-14-6-3-4-12-7(13)8(9,10)11/h1H,3-6H2,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide?
2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide has a molecular weight of 209.17 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-prop-2-ynoxypropyl)acetamide is sourced from PubChem (CID 89056674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).