3-(3,5-difluorophenyl)-2-ethylpyrrolidine

C12H15F2N — CID 106531961

IUPAC3-(3,5-difluorophenyl)-2-ethylpyrrolidine
SMILESCCC1NCCC1c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c1-2-12-11(3-4-15-12)8-5-9(13)7-10(14)6-8/h5-7,11-12,15H,2-4H2,1H3
InChIKeySDBQJVJHHQCFNP-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.82
Rot. Bonds2

About 3-(3,5-difluorophenyl)-2-ethylpyrrolidine

3-(3,5-difluorophenyl)-2-ethylpyrrolidine (PubChem CID 106531961) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-2-ethylpyrrolidine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-2-ethylpyrrolidine
PubChem CID106531961
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name3-(3,5-difluorophenyl)-2-ethylpyrrolidine
SMILESCCC1NCCC1c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c1-2-12-11(3-4-15-12)8-5-9(13)7-10(14)6-8/h5-7,11-12,15H,2-4H2,1H3
InChIKeySDBQJVJHHQCFNP-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-2-ethylpyrrolidine?
The IUPAC name of 3-(3,5-difluorophenyl)-2-ethylpyrrolidine (CID 106531961) is 3-(3,5-difluorophenyl)-2-ethylpyrrolidine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-2-ethylpyrrolidine?
The canonical SMILES for 3-(3,5-difluorophenyl)-2-ethylpyrrolidine is CCC1NCCC1c1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-2-ethylpyrrolidine?
The InChIKey is SDBQJVJHHQCFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-2-12-11(3-4-15-12)8-5-9(13)7-10(14)6-8/h5-7,11-12,15H,2-4H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-2-ethylpyrrolidine?
3-(3,5-difluorophenyl)-2-ethylpyrrolidine has a molecular weight of 211.25 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-2-ethylpyrrolidine is sourced from PubChem (CID 106531961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).