2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide

C8H8F5N3O — CID 87924402

IUPAC2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide
SMILESO=C(Cn1ccnc1)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F5N3O/c9-7(10,8(11,12)13)4-15-6(17)3-16-2-1-14-5-16/h1-2,5H,3-4H2,(H,15,17)
InChIKeyNBJVDYCUVJHDHZ-UHFFFAOYSA-N
MW257.16 g/mol
LogP1.20
Rot. Bonds4

About 2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide

2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide (PubChem CID 87924402) has the molecular formula C8H8F5N3O and a molecular weight of 257.16 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide
PubChem CID87924402
Molecular FormulaC8H8F5N3O
Molecular Weight257.16 g/mol
Exact Mass257.06
IUPAC Name2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide
SMILESO=C(Cn1ccnc1)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F5N3O/c9-7(10,8(11,12)13)4-15-6(17)3-16-2-1-14-5-16/h1-2,5H,3-4H2,(H,15,17)
InChIKeyNBJVDYCUVJHDHZ-UHFFFAOYSA-N
XLogP1.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide?
The IUPAC name of 2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide (CID 87924402) is 2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide is O=C(Cn1ccnc1)NCC(F)(F)C(F)(F)F.
What is the InChIKey of 2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide?
The InChIKey is NBJVDYCUVJHDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3O/c9-7(10,8(11,12)13)4-15-6(17)3-16-2-1-14-5-16/h1-2,5H,3-4H2,(H,15,17).
What are the key properties of 2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide?
2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide has a molecular weight of 257.16 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(2,2,3,3,3-pentafluoropropyl)acetamide is sourced from PubChem (CID 87924402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).