2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one

C16H22FNO — CID 79067259

IUPAC2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(CC)(C(=O)c1ccccc1F)N1CCCC1
InChIInChI=1S/C16H22FNO/c1-3-16(4-2,18-11-7-8-12-18)15(19)13-9-5-6-10-14(13)17/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3
InChIKeyIDZNDIYQTMPJTD-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.66
Rot. Bonds5

About 2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one

2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 79067259) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one
PubChem CID79067259
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(CC)(C(=O)c1ccccc1F)N1CCCC1
InChIInChI=1S/C16H22FNO/c1-3-16(4-2,18-11-7-8-12-18)15(19)13-9-5-6-10-14(13)17/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3
InChIKeyIDZNDIYQTMPJTD-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one (CID 79067259) is 2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one is CCC(CC)(C(=O)c1ccccc1F)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is IDZNDIYQTMPJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-3-16(4-2,18-11-7-8-12-18)15(19)13-9-5-6-10-14(13)17/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one?
2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluorophenyl)-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 79067259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).