3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol

C6H10F3NO — CID 66649642

IUPAC3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(11)4-10-2-1-3-10/h5,11H,1-4H2
InChIKeyQFRFWSDQAASCNV-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.62
Rot. Bonds2

About 3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol

3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 66649642) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID66649642
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(11)4-10-2-1-3-10/h5,11H,1-4H2
InChIKeyQFRFWSDQAASCNV-UHFFFAOYSA-N
XLogP0.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol 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 3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol (CID 66649642) is 3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol is OC(CN1CCC1)C(F)(F)F.
What is the InChIKey of 3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is QFRFWSDQAASCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)5(11)4-10-2-1-3-10/h5,11H,1-4H2.
What are the key properties of 3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 169.15 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 66649642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).