2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide

C7H9F5N2O3 — CID 89245063

IUPAC2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
SMILESCOC(C(N)=O)C(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5N2O3/c1-17-3(4(13)15)5(16)14-2-6(8,9)7(10,11)12/h3H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyJNIMFJWFRUXICT-UHFFFAOYSA-N
MW264.15 g/mol
LogP-0.20
Rot. Bonds5

About 2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide

2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide (PubChem CID 89245063) has the molecular formula C7H9F5N2O3 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide.

Molecular Properties

Compound Name2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
PubChem CID89245063
Molecular FormulaC7H9F5N2O3
Molecular Weight264.15 g/mol
Exact Mass264.05
IUPAC Name2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
SMILESCOC(C(N)=O)C(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5N2O3/c1-17-3(4(13)15)5(16)14-2-6(8,9)7(10,11)12/h3H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyJNIMFJWFRUXICT-UHFFFAOYSA-N
XLogP-0.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide?
The IUPAC name of 2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide (CID 89245063) is 2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide.
What is the SMILES notation for 2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide?
The canonical SMILES for 2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide is COC(C(N)=O)C(=O)NCC(F)(F)C(F)(F)F.
What is the InChIKey of 2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide?
The InChIKey is JNIMFJWFRUXICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5N2O3/c1-17-3(4(13)15)5(16)14-2-6(8,9)7(10,11)12/h3H,2H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide?
2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide has a molecular weight of 264.15 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide is sourced from PubChem (CID 89245063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).