2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C9H14F3NO3 — CID 103726418

IUPAC2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CCCO1)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7(14)5-13-8(15)4-6-2-1-3-16-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyNTOLKKHOXNFSKY-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.59
Rot. Bonds4

About 2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726418) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726418
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CCCO1)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7(14)5-13-8(15)4-6-2-1-3-16-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyNTOLKKHOXNFSKY-UHFFFAOYSA-N
XLogP0.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide 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 2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726418) is 2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(CC1CCCO1)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is NTOLKKHOXNFSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)7(14)5-13-8(15)4-6-2-1-3-16-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of 2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 241.21 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).