3-fluoro-3-phenylazetidine;hydrochloride

C9H11ClFN — CID 25260052

IUPAC3-fluoro-3-phenylazetidine;hydrochloride
SMILESCl.FC1(c2ccccc2)CNC1
InChIInChI=1S/C9H10FN.ClH/c10-9(6-11-7-9)8-4-2-1-3-5-8;/h1-5,11H,6-7H2;1H
InChIKeyIPIWGIZBRPGHKT-UHFFFAOYSA-N
MW187.65 g/mol
LogP1.88
Rot. Bonds1

About 3-fluoro-3-phenylazetidine;hydrochloride

3-fluoro-3-phenylazetidine;hydrochloride (PubChem CID 25260052) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 3-fluoro-3-phenylazetidine;hydrochloride.

Molecular Properties

Compound Name3-fluoro-3-phenylazetidine;hydrochloride
PubChem CID25260052
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name3-fluoro-3-phenylazetidine;hydrochloride
SMILESCl.FC1(c2ccccc2)CNC1
InChIInChI=1S/C9H10FN.ClH/c10-9(6-11-7-9)8-4-2-1-3-5-8;/h1-5,11H,6-7H2;1H
InChIKeyIPIWGIZBRPGHKT-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-phenylazetidine;hydrochloride?
The IUPAC name of 3-fluoro-3-phenylazetidine;hydrochloride (CID 25260052) is 3-fluoro-3-phenylazetidine;hydrochloride.
What is the SMILES notation for 3-fluoro-3-phenylazetidine;hydrochloride?
The canonical SMILES for 3-fluoro-3-phenylazetidine;hydrochloride is Cl.FC1(c2ccccc2)CNC1.
What is the InChIKey of 3-fluoro-3-phenylazetidine;hydrochloride?
The InChIKey is IPIWGIZBRPGHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN.ClH/c10-9(6-11-7-9)8-4-2-1-3-5-8;/h1-5,11H,6-7H2;1H.
What are the key properties of 3-fluoro-3-phenylazetidine;hydrochloride?
3-fluoro-3-phenylazetidine;hydrochloride has a molecular weight of 187.65 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-phenylazetidine;hydrochloride is sourced from PubChem (CID 25260052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).