2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine

C14H18F3N — CID 55063141

IUPAC2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
SMILESCCC1NCCC1(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-3-12-13(2,8-9-18-12)10-6-4-5-7-11(10)14(15,16)17/h4-7,12,18H,3,8-9H2,1-2H3
InChIKeyCSNDELWFHYXSSY-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.73
Rot. Bonds2

About 2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine

2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 55063141) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID55063141
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
SMILESCCC1NCCC1(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-3-12-13(2,8-9-18-12)10-6-4-5-7-11(10)14(15,16)17/h4-7,12,18H,3,8-9H2,1-2H3
InChIKeyCSNDELWFHYXSSY-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine (CID 55063141) is 2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine is CCC1NCCC1(C)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is CSNDELWFHYXSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-3-12-13(2,8-9-18-12)10-6-4-5-7-11(10)14(15,16)17/h4-7,12,18H,3,8-9H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine?
2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 257.30 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 55063141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).