(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride

C11H13ClF3N — CID 71742224

IUPAC(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc([C@@H]2CCNC2)cc1
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)10-3-1-8(2-4-10)9-5-6-15-7-9;/h1-4,9,15H,5-7H2;1H/t9-;/m1./s1
InChIKeySZXUAAODEDSBMB-SBSPUUFOSA-N
MW251.68 g/mol
LogP3.20
Rot. Bonds1

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

(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride (PubChem CID 71742224) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
PubChem CID71742224
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc([C@@H]2CCNC2)cc1
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)10-3-1-8(2-4-10)9-5-6-15-7-9;/h1-4,9,15H,5-7H2;1H/t9-;/m1./s1
InChIKeySZXUAAODEDSBMB-SBSPUUFOSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The IUPAC name of (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride (CID 71742224) is (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride.
What is the SMILES notation for (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The canonical SMILES for (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride is Cl.FC(F)(F)c1ccc([C@@H]2CCNC2)cc1.
What is the InChIKey of (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The InChIKey is SZXUAAODEDSBMB-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H12F3N.ClH/c12-11(13,14)10-3-1-8(2-4-10)9-5-6-15-7-9;/h1-4,9,15H,5-7H2;1H/t9-;/m1./s1.
What are the key properties of (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride has a molecular weight of 251.68 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 71742224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).