3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide

C8H14F3NO3 — CID 103890802

IUPAC3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
SMILESCCC(CO)(CO)NC(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-7(4-13,5-14)12-6(15)3-8(9,10)11/h13-14H,2-5H2,1H3,(H,12,15)
InChIKeyWCJQTKWWRSSYOM-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.19
Rot. Bonds5

About 3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide

3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide (PubChem CID 103890802) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
PubChem CID103890802
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
SMILESCCC(CO)(CO)NC(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-7(4-13,5-14)12-6(15)3-8(9,10)11/h13-14H,2-5H2,1H3,(H,12,15)
InChIKeyWCJQTKWWRSSYOM-UHFFFAOYSA-N
XLogP0.19
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide (CID 103890802) is 3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide is CCC(CO)(CO)NC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The InChIKey is WCJQTKWWRSSYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-2-7(4-13,5-14)12-6(15)3-8(9,10)11/h13-14H,2-5H2,1H3,(H,12,15).
What are the key properties of 3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide has a molecular weight of 229.20 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide is sourced from PubChem (CID 103890802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).