2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine

C14H17F4N — CID 104688287

IUPAC2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCCC1(Cc2ccc(F)cc2C(F)(F)F)CCCN1
InChIInChI=1S/C14H17F4N/c1-2-13(6-3-7-19-13)9-10-4-5-11(15)8-12(10)14(16,17)18/h4-5,8,19H,2-3,6-7,9H2,1H3
InChIKeyFMZUBQVJWGXPEH-UHFFFAOYSA-N
MW275.29 g/mol
LogP3.92
Rot. Bonds3

About 2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine

2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 104688287) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID104688287
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCCC1(Cc2ccc(F)cc2C(F)(F)F)CCCN1
InChIInChI=1S/C14H17F4N/c1-2-13(6-3-7-19-13)9-10-4-5-11(15)8-12(10)14(16,17)18/h4-5,8,19H,2-3,6-7,9H2,1H3
InChIKeyFMZUBQVJWGXPEH-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 104688287) is 2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine is CCC1(Cc2ccc(F)cc2C(F)(F)F)CCCN1.
What is the InChIKey of 2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is FMZUBQVJWGXPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-2-13(6-3-7-19-13)9-10-4-5-11(15)8-12(10)14(16,17)18/h4-5,8,19H,2-3,6-7,9H2,1H3.
What are the key properties of 2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 275.29 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 104688287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).