2-(trifluoromethyl)azetidine;hydrochloride

C4H7ClF3N — CID 119031729

IUPAC2-(trifluoromethyl)azetidine;hydrochloride
SMILESCl.FC(F)(F)C1CCN1
InChIInChI=1S/C4H6F3N.ClH/c5-4(6,7)3-1-2-8-3;/h3,8H,1-2H2;1H
InChIKeyNJAINSRXRZBHBB-UHFFFAOYSA-N
MW161.55 g/mol
LogP1.33
Rot. Bonds

About 2-(trifluoromethyl)azetidine;hydrochloride

2-(trifluoromethyl)azetidine;hydrochloride (PubChem CID 119031729) has the molecular formula C4H7ClF3N and a molecular weight of 161.55 g/mol. Its IUPAC name is 2-(trifluoromethyl)azetidine;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)azetidine;hydrochloride
PubChem CID119031729
Molecular FormulaC4H7ClF3N
Molecular Weight161.55 g/mol
Exact Mass161.02
IUPAC Name2-(trifluoromethyl)azetidine;hydrochloride
SMILESCl.FC(F)(F)C1CCN1
InChIInChI=1S/C4H6F3N.ClH/c5-4(6,7)3-1-2-8-3;/h3,8H,1-2H2;1H
InChIKeyNJAINSRXRZBHBB-UHFFFAOYSA-N
XLogP1.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.55
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)azetidine;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)azetidine;hydrochloride (CID 119031729) is 2-(trifluoromethyl)azetidine;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)azetidine;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)azetidine;hydrochloride is Cl.FC(F)(F)C1CCN1.
What is the InChIKey of 2-(trifluoromethyl)azetidine;hydrochloride?
The InChIKey is NJAINSRXRZBHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N.ClH/c5-4(6,7)3-1-2-8-3;/h3,8H,1-2H2;1H.
What are the key properties of 2-(trifluoromethyl)azetidine;hydrochloride?
2-(trifluoromethyl)azetidine;hydrochloride has a molecular weight of 161.55 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)azetidine;hydrochloride is sourced from PubChem (CID 119031729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).