2-[2-(trifluoromethyl)phenyl]pyrrolidine

C11H12F3N — CID 3813474

IUPAC2-[2-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccccc1C1CCCN1
InChIInChI=1S/C11H12F3N/c12-11(13,14)9-5-2-1-4-8(9)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2
InChIKeyDRQIUNNVQDIWJF-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.13
Rot. Bonds1

About 2-[2-(trifluoromethyl)phenyl]pyrrolidine

2-[2-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 3813474) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID3813474
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name2-[2-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccccc1C1CCCN1
InChIInChI=1S/C11H12F3N/c12-11(13,14)9-5-2-1-4-8(9)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2
InChIKeyDRQIUNNVQDIWJF-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]pyrrolidine (CID 3813474) is 2-[2-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1ccccc1C1CCCN1.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is DRQIUNNVQDIWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-11(13,14)9-5-2-1-4-8(9)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]pyrrolidine?
2-[2-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 215.22 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 3813474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).