N-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C11H13F4N3O2 — CID 91765232

IUPACN-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCCc1cnccn1
InChIInChI=1S/C11H13F4N3O2/c12-10(13)11(14,15)7-20-6-9(19)18-2-1-8-5-16-3-4-17-8/h3-5,10H,1-2,6-7H2,(H,18,19)
InChIKeyYLOIRRUUVQESOF-UHFFFAOYSA-N
MW295.24 g/mol
LogP1.05
Rot. Bonds8

About N-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 91765232) has the molecular formula C11H13F4N3O2 and a molecular weight of 295.24 g/mol. Its IUPAC name is N-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID91765232
Molecular FormulaC11H13F4N3O2
Molecular Weight295.24 g/mol
Exact Mass295.09
IUPAC NameN-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCCc1cnccn1
InChIInChI=1S/C11H13F4N3O2/c12-10(13)11(14,15)7-20-6-9(19)18-2-1-8-5-16-3-4-17-8/h3-5,10H,1-2,6-7H2,(H,18,19)
InChIKeyYLOIRRUUVQESOF-UHFFFAOYSA-N
XLogP1.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 91765232) is N-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide is O=C(COCC(F)(F)C(F)F)NCCc1cnccn1.
What is the InChIKey of N-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is YLOIRRUUVQESOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3O2/c12-10(13)11(14,15)7-20-6-9(19)18-2-1-8-5-16-3-4-17-8/h3-5,10H,1-2,6-7H2,(H,18,19).
What are the key properties of N-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 295.24 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazin-2-ylethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 91765232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).