2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide

C9H15F3N2O2 — CID 167795290

IUPAC2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide
SMILESCC(O)C(=O)NC1CC(NCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-5(15)8(16)14-7-2-6(3-7)13-4-9(10,11)12/h5-7,13,15H,2-4H2,1H3,(H,14,16)
InChIKeyOIVFSPLKRFBHBC-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.17
Rot. Bonds4

About 2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide

2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide (PubChem CID 167795290) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide
PubChem CID167795290
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide
SMILESCC(O)C(=O)NC1CC(NCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-5(15)8(16)14-7-2-6(3-7)13-4-9(10,11)12/h5-7,13,15H,2-4H2,1H3,(H,14,16)
InChIKeyOIVFSPLKRFBHBC-UHFFFAOYSA-N
XLogP0.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide?
The IUPAC name of 2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide (CID 167795290) is 2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide.
What is the SMILES notation for 2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide?
The canonical SMILES for 2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide is CC(O)C(=O)NC1CC(NCC(F)(F)F)C1.
What is the InChIKey of 2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide?
The InChIKey is OIVFSPLKRFBHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-5(15)8(16)14-7-2-6(3-7)13-4-9(10,11)12/h5-7,13,15H,2-4H2,1H3,(H,14,16).
What are the key properties of 2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide?
2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide has a molecular weight of 240.22 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]propanamide is sourced from PubChem (CID 167795290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).