3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride

C11H13ClF3N — CID 45073982

IUPAC3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccccc1C1CCNC1
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)10-4-2-1-3-9(10)8-5-6-15-7-8;/h1-4,8,15H,5-7H2;1H
InChIKeyIEMRSONLHAUTJX-UHFFFAOYSA-N
MW251.68 g/mol
LogP3.20
Rot. Bonds1

About 3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride

3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride (PubChem CID 45073982) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
PubChem CID45073982
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)c1ccccc1C1CCNC1
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)10-4-2-1-3-9(10)8-5-6-15-7-8;/h1-4,8,15H,5-7H2;1H
InChIKeyIEMRSONLHAUTJX-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride (CID 45073982) is 3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride is Cl.FC(F)(F)c1ccccc1C1CCNC1.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The InChIKey is IEMRSONLHAUTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N.ClH/c12-11(13,14)10-4-2-1-3-9(10)8-5-6-15-7-8;/h1-4,8,15H,5-7H2;1H.
What are the key properties of 3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
3-[2-(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 3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 45073982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).