3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride

C10H11ClF3N — CID 67359562

IUPAC3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(C2CNC2)cc1
InChIInChI=1S/C10H10F3N.ClH/c11-10(12,13)9-3-1-7(2-4-9)8-5-14-6-8;/h1-4,8,14H,5-6H2;1H
InChIKeyUFBGPLAKNYFBSB-UHFFFAOYSA-N
MW237.65 g/mol
LogP2.81
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride

3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride (PubChem CID 67359562) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride
PubChem CID67359562
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(C2CNC2)cc1
InChIInChI=1S/C10H10F3N.ClH/c11-10(12,13)9-3-1-7(2-4-9)8-5-14-6-8;/h1-4,8,14H,5-6H2;1H
InChIKeyUFBGPLAKNYFBSB-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride (CID 67359562) is 3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride is Cl.FC(F)(F)c1ccc(C2CNC2)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The InChIKey is UFBGPLAKNYFBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N.ClH/c11-10(12,13)9-3-1-7(2-4-9)8-5-14-6-8;/h1-4,8,14H,5-6H2;1H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride?
3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride has a molecular weight of 237.65 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride is sourced from PubChem (CID 67359562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).