3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol

C14H16F3NO — CID 169104677

IUPAC3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(C3CNC3)cc2)C1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)13(19)5-11(6-13)9-1-3-10(4-2-9)12-7-18-8-12/h1-4,11-12,18-19H,5-8H2
InChIKeyWRZIZXPMVURXGD-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.54
Rot. Bonds2

About 3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol

3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 169104677) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol
PubChem CID169104677
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(C3CNC3)cc2)C1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)13(19)5-11(6-13)9-1-3-10(4-2-9)12-7-18-8-12/h1-4,11-12,18-19H,5-8H2
InChIKeyWRZIZXPMVURXGD-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-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-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol (CID 169104677) is 3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol is OC1(C(F)(F)F)CC(c2ccc(C3CNC3)cc2)C1.
What is the InChIKey of 3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is WRZIZXPMVURXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)13(19)5-11(6-13)9-1-3-10(4-2-9)12-7-18-8-12/h1-4,11-12,18-19H,5-8H2.
What are the key properties of 3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol?
3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 271.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azetidin-3-yl)phenyl]-1-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 169104677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).