1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol

C8H14F3NO — CID 118284228

IUPAC1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol
SMILESCC(C)(C)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-6(2,3)12-4-7(13,5-12)8(9,10)11/h13H,4-5H2,1-3H3
InChIKeyUFRYTQXLRNJTSA-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.39
Rot. Bonds

About 1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol

1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol (PubChem CID 118284228) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol
PubChem CID118284228
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol
SMILESCC(C)(C)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-6(2,3)12-4-7(13,5-12)8(9,10)11/h13H,4-5H2,1-3H3
InChIKeyUFRYTQXLRNJTSA-UHFFFAOYSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-(trifluoromethyl)azetidin-3-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 1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol?
The IUPAC name of 1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol (CID 118284228) is 1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol.
What is the SMILES notation for 1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol?
The canonical SMILES for 1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol is CC(C)(C)N1CC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol?
The InChIKey is UFRYTQXLRNJTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(2,3)12-4-7(13,5-12)8(9,10)11/h13H,4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol?
1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol has a molecular weight of 197.20 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(trifluoromethyl)azetidin-3-ol is sourced from PubChem (CID 118284228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).