N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide

C7H12F3NO3 — CID 15274818

IUPACN-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide
SMILESCC(C)(C)NC(=O)C(O)(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-5(2,3)11-4(12)6(13,14)7(8,9)10/h13-14H,1-3H3,(H,11,12)
InChIKeyBYJULUIGMDIRCW-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.14
Rot. Bonds1

About N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide

N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide (PubChem CID 15274818) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide
PubChem CID15274818
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC NameN-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide
SMILESCC(C)(C)NC(=O)C(O)(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-5(2,3)11-4(12)6(13,14)7(8,9)10/h13-14H,1-3H3,(H,11,12)
InChIKeyBYJULUIGMDIRCW-UHFFFAOYSA-N
XLogP0.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide?
The IUPAC name of N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide (CID 15274818) is N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide.
What is the SMILES notation for N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide?
The canonical SMILES for N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide is CC(C)(C)NC(=O)C(O)(O)C(F)(F)F.
What is the InChIKey of N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide?
The InChIKey is BYJULUIGMDIRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-5(2,3)11-4(12)6(13,14)7(8,9)10/h13-14H,1-3H3,(H,11,12).
What are the key properties of N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide?
N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide has a molecular weight of 215.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3,3-trifluoro-2,2-dihydroxypropanamide is sourced from PubChem (CID 15274818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).