1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol

C11H12F3NO2 — CID 55169790

IUPAC1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
SMILESOC1CN(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-10-3-1-8(2-4-10)5-15-6-9(16)7-15/h1-4,9,16H,5-7H2
InChIKeyKVMWMAOUHMJEHK-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.76
Rot. Bonds3

About 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol

1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol (PubChem CID 55169790) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
PubChem CID55169790
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
SMILESOC1CN(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)17-10-3-1-8(2-4-10)5-15-6-9(16)7-15/h1-4,9,16H,5-7H2
InChIKeyKVMWMAOUHMJEHK-UHFFFAOYSA-N
XLogP1.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol (CID 55169790) is 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol is OC1CN(Cc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol?
The InChIKey is KVMWMAOUHMJEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)17-10-3-1-8(2-4-10)5-15-6-9(16)7-15/h1-4,9,16H,5-7H2.
What are the key properties of 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol?
1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol has a molecular weight of 247.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol is sourced from PubChem (CID 55169790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).