3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol

C9H9F3N2O — CID 102707376

IUPAC3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol
SMILESOC1(c2cnccc2C(F)(F)F)CNC1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)6-1-2-13-3-7(6)8(15)4-14-5-8/h1-3,14-15H,4-5H2
InChIKeyLBBNIFJDRWVMDV-UHFFFAOYSA-N
MW218.18 g/mol
LogP0.89
Rot. Bonds1

About 3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol

3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol (PubChem CID 102707376) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol
PubChem CID102707376
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol
SMILESOC1(c2cnccc2C(F)(F)F)CNC1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)6-1-2-13-3-7(6)8(15)4-14-5-8/h1-3,14-15H,4-5H2
InChIKeyLBBNIFJDRWVMDV-UHFFFAOYSA-N
XLogP0.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol?
The IUPAC name of 3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol (CID 102707376) is 3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol.
What is the SMILES notation for 3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol?
The canonical SMILES for 3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol is OC1(c2cnccc2C(F)(F)F)CNC1.
What is the InChIKey of 3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol?
The InChIKey is LBBNIFJDRWVMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)6-1-2-13-3-7(6)8(15)4-14-5-8/h1-3,14-15H,4-5H2.
What are the key properties of 3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol?
3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol has a molecular weight of 218.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol is sourced from PubChem (CID 102707376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).