2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

C8H8F5N3O — CID 91700451

IUPAC2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESO=C(NCCc1cnc[nH]1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F5N3O/c9-7(10,8(11,12)13)6(17)15-2-1-5-3-14-4-16-5/h3-4H,1-2H2,(H,14,16)(H,15,17)
InChIKeyQODSOJCUJPRCLK-UHFFFAOYSA-N
MW257.16 g/mol
LogP1.27
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (PubChem CID 91700451) has the molecular formula C8H8F5N3O and a molecular weight of 257.16 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
PubChem CID91700451
Molecular FormulaC8H8F5N3O
Molecular Weight257.16 g/mol
Exact Mass257.06
IUPAC Name2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESO=C(NCCc1cnc[nH]1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F5N3O/c9-7(10,8(11,12)13)6(17)15-2-1-5-3-14-4-16-5/h3-4H,1-2H2,(H,14,16)(H,15,17)
InChIKeyQODSOJCUJPRCLK-UHFFFAOYSA-N
XLogP1.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (CID 91700451) is 2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide is O=C(NCCc1cnc[nH]1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The InChIKey is QODSOJCUJPRCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3O/c9-7(10,8(11,12)13)6(17)15-2-1-5-3-14-4-16-5/h3-4H,1-2H2,(H,14,16)(H,15,17).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide has a molecular weight of 257.16 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[2-(1H-imidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 91700451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).