1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine

C13H16F3N — CID 57299449

IUPAC1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESCCN1CCC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H16F3N/c1-2-17-8-7-11(9-17)10-3-5-12(6-4-10)13(14,15)16/h3-6,11H,2,7-9H2,1H3
InChIKeyLVZLFRFVPIGTES-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.51
Rot. Bonds2

About 1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine

1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 57299449) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID57299449
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESCCN1CCC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H16F3N/c1-2-17-8-7-11(9-17)10-3-5-12(6-4-10)13(14,15)16/h3-6,11H,2,7-9H2,1H3
InChIKeyLVZLFRFVPIGTES-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine (CID 57299449) is 1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine is CCN1CCC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is LVZLFRFVPIGTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-2-17-8-7-11(9-17)10-3-5-12(6-4-10)13(14,15)16/h3-6,11H,2,7-9H2,1H3.
What are the key properties of 1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine?
1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 243.27 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 57299449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).