2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide

C9H13F4NO3 — CID 107302179

IUPAC2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
SMILESCC1OCCC1(O)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO3/c1-5-8(16,2-3-17-5)4-14-7(15)9(12,13)6(10)11/h5-6,16H,2-4H2,1H3,(H,14,15)
InChIKeyPHOYMMDQFYTUPB-UHFFFAOYSA-N
MW259.20 g/mol
LogP0.54
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide

2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide (PubChem CID 107302179) has the molecular formula C9H13F4NO3 and a molecular weight of 259.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
PubChem CID107302179
Molecular FormulaC9H13F4NO3
Molecular Weight259.20 g/mol
Exact Mass259.08
IUPAC Name2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
SMILESCC1OCCC1(O)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO3/c1-5-8(16,2-3-17-5)4-14-7(15)9(12,13)6(10)11/h5-6,16H,2-4H2,1H3,(H,14,15)
InChIKeyPHOYMMDQFYTUPB-UHFFFAOYSA-N
XLogP0.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide 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 2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide (CID 107302179) is 2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide is CC1OCCC1(O)CNC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The InChIKey is PHOYMMDQFYTUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO3/c1-5-8(16,2-3-17-5)4-14-7(15)9(12,13)6(10)11/h5-6,16H,2-4H2,1H3,(H,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide has a molecular weight of 259.20 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 107302179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).