3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide

C9H14F3NO3 — CID 103954388

IUPAC3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
SMILESO=C(CC(F)(F)F)NC1(CO)CCOCC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-7(15)13-8(6-14)1-3-16-4-2-8/h14H,1-6H2,(H,13,15)
InChIKeyPICXZQNMMPPJSR-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.60
Rot. Bonds3

About 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide

3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide (PubChem CID 103954388) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
PubChem CID103954388
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
SMILESO=C(CC(F)(F)F)NC1(CO)CCOCC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-7(15)13-8(6-14)1-3-16-4-2-8/h14H,1-6H2,(H,13,15)
InChIKeyPICXZQNMMPPJSR-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]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 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide (CID 103954388) is 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide is O=C(CC(F)(F)F)NC1(CO)CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The InChIKey is PICXZQNMMPPJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)5-7(15)13-8(6-14)1-3-16-4-2-8/h14H,1-6H2,(H,13,15).
What are the key properties of 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide has a molecular weight of 241.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide is sourced from PubChem (CID 103954388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).