2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide

C7H11F3N2O3 — CID 131726361

IUPAC2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide
SMILESCC(O)(C(N)=O)C(=O)NCCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-6(15,4(11)13)5(14)12-3-2-7(8,9)10/h15H,2-3H2,1H3,(H2,11,13)(H,12,14)
InChIKeyDHZLAADMCPNOJJ-UHFFFAOYSA-N
MW228.17 g/mol
LogP-0.71
Rot. Bonds4

About 2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide

2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide (PubChem CID 131726361) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide
PubChem CID131726361
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide
SMILESCC(O)(C(N)=O)C(=O)NCCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-6(15,4(11)13)5(14)12-3-2-7(8,9)10/h15H,2-3H2,1H3,(H2,11,13)(H,12,14)
InChIKeyDHZLAADMCPNOJJ-UHFFFAOYSA-N
XLogP-0.71
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide?
The IUPAC name of 2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide (CID 131726361) is 2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide?
The canonical SMILES for 2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide is CC(O)(C(N)=O)C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide?
The InChIKey is DHZLAADMCPNOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c1-6(15,4(11)13)5(14)12-3-2-7(8,9)10/h15H,2-3H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide?
2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide has a molecular weight of 228.17 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N'-(3,3,3-trifluoropropyl)propanediamide is sourced from PubChem (CID 131726361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).