(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride

C11H12ClF4NO — CID 171197337

IUPAC(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride
SMILESCl.FC(F)C(F)(F)Oc1ccccc1[C@H]1CCN1
InChIInChI=1S/C11H11F4NO.ClH/c12-10(13)11(14,15)17-9-4-2-1-3-7(9)8-5-6-16-8;/h1-4,8,10,16H,5-6H2;1H/t8-;/m1./s1
InChIKeySTBSGWHHGZSCKL-DDWIOCJRSA-N
MW285.67 g/mol
LogP3.38
Rot. Bonds4

About (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride

(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride (PubChem CID 171197337) has the molecular formula C11H12ClF4NO and a molecular weight of 285.67 g/mol. Its IUPAC name is (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride
PubChem CID171197337
Molecular FormulaC11H12ClF4NO
Molecular Weight285.67 g/mol
Exact Mass285.05
IUPAC Name(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride
SMILESCl.FC(F)C(F)(F)Oc1ccccc1[C@H]1CCN1
InChIInChI=1S/C11H11F4NO.ClH/c12-10(13)11(14,15)17-9-4-2-1-3-7(9)8-5-6-16-8;/h1-4,8,10,16H,5-6H2;1H/t8-;/m1./s1
InChIKeySTBSGWHHGZSCKL-DDWIOCJRSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.67
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride?
The IUPAC name of (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride (CID 171197337) is (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride?
The canonical SMILES for (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride is Cl.FC(F)C(F)(F)Oc1ccccc1[C@H]1CCN1.
What is the InChIKey of (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride?
The InChIKey is STBSGWHHGZSCKL-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H11F4NO.ClH/c12-10(13)11(14,15)17-9-4-2-1-3-7(9)8-5-6-16-8;/h1-4,8,10,16H,5-6H2;1H/t8-;/m1./s1.
What are the key properties of (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride?
(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride has a molecular weight of 285.67 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride is sourced from PubChem (CID 171197337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).