3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide

C10H10F3NO3 — CID 70794801

IUPAC3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide
SMILESNC(=O)CC(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-2-6(4-7)8(15)5-9(14)16/h1-4,8,15H,5H2,(H2,14,16)
InChIKeyOJVSLKWNSXZHFY-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.49
Rot. Bonds4

About 3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide

3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 70794801) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide
PubChem CID70794801
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide
SMILESNC(=O)CC(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-2-6(4-7)8(15)5-9(14)16/h1-4,8,15H,5H2,(H2,14,16)
InChIKeyOJVSLKWNSXZHFY-UHFFFAOYSA-N
XLogP1.49
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide (CID 70794801) is 3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide is NC(=O)CC(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is OJVSLKWNSXZHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-2-6(4-7)8(15)5-9(14)16/h1-4,8,15H,5H2,(H2,14,16).
What are the key properties of 3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide?
3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 249.19 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 70794801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).