1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine

C12H14F3N — CID 18722940

IUPAC1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCN1CCC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H14F3N/c1-16-6-5-10(8-16)9-3-2-4-11(7-9)12(13,14)15/h2-4,7,10H,5-6,8H2,1H3
InChIKeyFWPHHEAJBAGYGL-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.12
Rot. Bonds1

About 1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine

1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 18722940) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID18722940
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCN1CCC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H14F3N/c1-16-6-5-10(8-16)9-3-2-4-11(7-9)12(13,14)15/h2-4,7,10H,5-6,8H2,1H3
InChIKeyFWPHHEAJBAGYGL-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine (CID 18722940) is 1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine is CN1CCC(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is FWPHHEAJBAGYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-16-6-5-10(8-16)9-3-2-4-11(7-9)12(13,14)15/h2-4,7,10H,5-6,8H2,1H3.
What are the key properties of 1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine?
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 229.25 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 18722940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).