3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide

C6H9F3N2O2 — CID 115608964

IUPAC3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC(O)C1
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)3-10-5(13)11-1-4(12)2-11/h4,12H,1-3H2,(H,10,13)
InChIKeyUKYSPIRRWJJAHX-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.07
Rot. Bonds1

About 3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide

3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide (PubChem CID 115608964) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is 3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
PubChem CID115608964
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Name3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC(O)C1
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)3-10-5(13)11-1-4(12)2-11/h4,12H,1-3H2,(H,10,13)
InChIKeyUKYSPIRRWJJAHX-UHFFFAOYSA-N
XLogP-0.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide (CID 115608964) is 3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide is O=C(NCC(F)(F)F)N1CC(O)C1.
What is the InChIKey of 3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The InChIKey is UKYSPIRRWJJAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c7-6(8,9)3-10-5(13)11-1-4(12)2-11/h4,12H,1-3H2,(H,10,13).
What are the key properties of 3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide has a molecular weight of 198.14 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide is sourced from PubChem (CID 115608964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).