(2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride

C10H10Cl2F3N — CID 171197364

IUPAC(2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(Cl)c([C@H]2CCN2)c1
InChIInChI=1S/C10H9ClF3N.ClH/c11-8-2-1-6(10(12,13)14)5-7(8)9-3-4-15-9;/h1-2,5,9,15H,3-4H2;1H/t9-;/m1./s1
InChIKeyLWODVLDIIKOAEP-SBSPUUFOSA-N
MW272.10 g/mol
LogP3.82
Rot. Bonds1

About (2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride

(2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride (PubChem CID 171197364) has the molecular formula C10H10Cl2F3N and a molecular weight of 272.10 g/mol. Its IUPAC name is (2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
PubChem CID171197364
Molecular FormulaC10H10Cl2F3N
Molecular Weight272.10 g/mol
Exact Mass271.01
IUPAC Name(2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(Cl)c([C@H]2CCN2)c1
InChIInChI=1S/C10H9ClF3N.ClH/c11-8-2-1-6(10(12,13)14)5-7(8)9-3-4-15-9;/h1-2,5,9,15H,3-4H2;1H/t9-;/m1./s1
InChIKeyLWODVLDIIKOAEP-SBSPUUFOSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The IUPAC name of (2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride (CID 171197364) is (2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The canonical SMILES for (2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride is Cl.FC(F)(F)c1ccc(Cl)c([C@H]2CCN2)c1.
What is the InChIKey of (2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride?
The InChIKey is LWODVLDIIKOAEP-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H9ClF3N.ClH/c11-8-2-1-6(10(12,13)14)5-7(8)9-3-4-15-9;/h1-2,5,9,15H,3-4H2;1H/t9-;/m1./s1.
What are the key properties of (2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride?
(2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride has a molecular weight of 272.10 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-chloro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride is sourced from PubChem (CID 171197364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).