3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide

C9H14F3NO3 — CID 103800380

IUPAC3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-5-2-3-16-7(5)8(15)13-4-6(14)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15)
InChIKeyTXZDJDFEVBLINI-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.45
Rot. Bonds3

About 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide

3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide (PubChem CID 103800380) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide
PubChem CID103800380
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-5-2-3-16-7(5)8(15)13-4-6(14)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15)
InChIKeyTXZDJDFEVBLINI-UHFFFAOYSA-N
XLogP0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide 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 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide?
The IUPAC name of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide (CID 103800380) is 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide is CC1CCOC1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide?
The InChIKey is TXZDJDFEVBLINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-5-2-3-16-7(5)8(15)13-4-6(14)9(10,11)12/h5-7,14H,2-4H2,1H3,(H,13,15).
What are the key properties of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide?
3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide has a molecular weight of 241.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide is sourced from PubChem (CID 103800380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).