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

C14H18F3N — CID 104688281

IUPAC2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCCC1(Cc2ccccc2C(F)(F)F)CCCN1
InChIInChI=1S/C14H18F3N/c1-2-13(8-5-9-18-13)10-11-6-3-4-7-12(11)14(15,16)17/h3-4,6-7,18H,2,5,8-10H2,1H3
InChIKeyDCARJXTXQPLOAU-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.78
Rot. Bonds3

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

2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 104688281) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID104688281
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCCC1(Cc2ccccc2C(F)(F)F)CCCN1
InChIInChI=1S/C14H18F3N/c1-2-13(8-5-9-18-13)10-11-6-3-4-7-12(11)14(15,16)17/h3-4,6-7,18H,2,5,8-10H2,1H3
InChIKeyDCARJXTXQPLOAU-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 104688281) is 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine is CCC1(Cc2ccccc2C(F)(F)F)CCCN1.
What is the InChIKey of 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is DCARJXTXQPLOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-2-13(8-5-9-18-13)10-11-6-3-4-7-12(11)14(15,16)17/h3-4,6-7,18H,2,5,8-10H2,1H3.
What are the key properties of 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 257.30 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 104688281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).