3-ethyl-2-(3-fluorophenyl)pyrrolidine

C12H16FN — CID 3903134

IUPAC3-ethyl-2-(3-fluorophenyl)pyrrolidine
SMILESCCC1CCNC1c1cccc(F)c1
InChIInChI=1S/C12H16FN/c1-2-9-6-7-14-12(9)10-4-3-5-11(13)8-10/h3-5,8-9,12,14H,2,6-7H2,1H3
InChIKeyLCRHMZNHLRAOSI-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.89
Rot. Bonds2

About 3-ethyl-2-(3-fluorophenyl)pyrrolidine

3-ethyl-2-(3-fluorophenyl)pyrrolidine (PubChem CID 3903134) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-ethyl-2-(3-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name3-ethyl-2-(3-fluorophenyl)pyrrolidine
PubChem CID3903134
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name3-ethyl-2-(3-fluorophenyl)pyrrolidine
SMILESCCC1CCNC1c1cccc(F)c1
InChIInChI=1S/C12H16FN/c1-2-9-6-7-14-12(9)10-4-3-5-11(13)8-10/h3-5,8-9,12,14H,2,6-7H2,1H3
InChIKeyLCRHMZNHLRAOSI-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-3-methylpyrrolidine
CID 3582862
2-(3-ethoxyphenyl)-3-ethylpyrrolidine
CID 64689256
(2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine
CID 101397690
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine
CID 64689084
ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate
CID 83855538
3-(2-methylpropyl)-2-phenylpyrrolidine
CID 62722562
4-(3-fluorophenyl)-3-methylazetidin-2-one
CID 114873177
2-(4-fluorophenyl)-3-(methoxymethyl)pyrrolidine
CID 105463019
2-(3-fluorophenyl)cyclobutan-1-amine
CID 81014796
(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
CID 95437342
6-ethyl-2-(3-fluorophenyl)-3-methylmorpholine
CID 114872236

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-fluorophenyl)pyrrolidine?
The IUPAC name of 3-ethyl-2-(3-fluorophenyl)pyrrolidine (CID 3903134) is 3-ethyl-2-(3-fluorophenyl)pyrrolidine.
What is the SMILES notation for 3-ethyl-2-(3-fluorophenyl)pyrrolidine?
The canonical SMILES for 3-ethyl-2-(3-fluorophenyl)pyrrolidine is CCC1CCNC1c1cccc(F)c1.
What is the InChIKey of 3-ethyl-2-(3-fluorophenyl)pyrrolidine?
The InChIKey is LCRHMZNHLRAOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-2-9-6-7-14-12(9)10-4-3-5-11(13)8-10/h3-5,8-9,12,14H,2,6-7H2,1H3.
What are the key properties of 3-ethyl-2-(3-fluorophenyl)pyrrolidine?
3-ethyl-2-(3-fluorophenyl)pyrrolidine has a molecular weight of 193.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-fluorophenyl)pyrrolidine is sourced from PubChem (CID 3903134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).