1-(azetidin-3-yl)-2,2,2-trifluoroethanol

C5H8F3NO — CID 91623722

IUPAC1-(azetidin-3-yl)-2,2,2-trifluoroethanol
SMILESOC(C1CNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(10)3-1-9-2-3/h3-4,9-10H,1-2H2
InChIKeyAXUWKMPEIVRXHK-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.13
Rot. Bonds1

About 1-(azetidin-3-yl)-2,2,2-trifluoroethanol

1-(azetidin-3-yl)-2,2,2-trifluoroethanol (PubChem CID 91623722) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2,2,2-trifluoroethanol
PubChem CID91623722
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name1-(azetidin-3-yl)-2,2,2-trifluoroethanol
SMILESOC(C1CNC1)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(10)3-1-9-2-3/h3-4,9-10H,1-2H2
InChIKeyAXUWKMPEIVRXHK-UHFFFAOYSA-N
XLogP0.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(azetidin-3-yl)-2,2,2-trifluoroethanol 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 1-(azetidin-3-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(azetidin-3-yl)-2,2,2-trifluoroethanol (CID 91623722) is 1-(azetidin-3-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(azetidin-3-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(azetidin-3-yl)-2,2,2-trifluoroethanol is OC(C1CNC1)C(F)(F)F.
What is the InChIKey of 1-(azetidin-3-yl)-2,2,2-trifluoroethanol?
The InChIKey is AXUWKMPEIVRXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)4(10)3-1-9-2-3/h3-4,9-10H,1-2H2.
What are the key properties of 1-(azetidin-3-yl)-2,2,2-trifluoroethanol?
1-(azetidin-3-yl)-2,2,2-trifluoroethanol has a molecular weight of 155.12 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 91623722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).