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

C7H9F5N2O2 — CID 87935493

IUPACN-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
SMILESCNC(=O)CC(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5N2O2/c1-13-4(15)2-5(16)14-3-6(8,9)7(10,11)12/h2-3H2,1H3,(H,13,15)(H,14,16)
InChIKeyUBMVSCGJJOOMOQ-UHFFFAOYSA-N
MW248.15 g/mol
LogP0.44
Rot. Bonds4

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

N-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide (PubChem CID 87935493) has the molecular formula C7H9F5N2O2 and a molecular weight of 248.15 g/mol. Its IUPAC name is N-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide.

Molecular Properties

Compound NameN-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
PubChem CID87935493
Molecular FormulaC7H9F5N2O2
Molecular Weight248.15 g/mol
Exact Mass248.06
IUPAC NameN-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
SMILESCNC(=O)CC(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5N2O2/c1-13-4(15)2-5(16)14-3-6(8,9)7(10,11)12/h2-3H2,1H3,(H,13,15)(H,14,16)
InChIKeyUBMVSCGJJOOMOQ-UHFFFAOYSA-N
XLogP0.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide?
The IUPAC name of N-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide (CID 87935493) is N-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide.
What is the SMILES notation for N-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide?
The canonical SMILES for N-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide is CNC(=O)CC(=O)NCC(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide?
The InChIKey is UBMVSCGJJOOMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5N2O2/c1-13-4(15)2-5(16)14-3-6(8,9)7(10,11)12/h2-3H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide?
N-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide has a molecular weight of 248.15 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide is sourced from PubChem (CID 87935493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).