1-[4-(trifluoromethyl)phenyl]pyrrolidine

C11H12F3N — CID 11031229

IUPAC1-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H12F3N/c12-11(13,14)9-3-5-10(6-4-9)15-7-1-2-8-15/h3-6H,1-2,7-8H2
InChIKeyXAIOGMOTJLWPAJ-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.31
Rot. Bonds1

About 1-[4-(trifluoromethyl)phenyl]pyrrolidine

1-[4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 11031229) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID11031229
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name1-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H12F3N/c12-11(13,14)9-3-5-10(6-4-9)15-7-1-2-8-15/h3-6H,1-2,7-8H2
InChIKeyXAIOGMOTJLWPAJ-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]pyrrolidine (CID 11031229) is 1-[4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is XAIOGMOTJLWPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-11(13,14)9-3-5-10(6-4-9)15-7-1-2-8-15/h3-6H,1-2,7-8H2.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]pyrrolidine?
1-[4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 215.22 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 11031229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).