3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile

C13H15FN2 — CID 82079287

IUPAC3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile
SMILESN#CC(Cc1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C13H15FN2/c14-12-5-3-11(4-6-12)9-13(10-15)16-7-1-2-8-16/h3-6,13H,1-2,7-9H2
InChIKeyIVDYRSLTUSZENW-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.36
Rot. Bonds3

About 3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile

3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile (PubChem CID 82079287) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile
PubChem CID82079287
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile
SMILESN#CC(Cc1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C13H15FN2/c14-12-5-3-11(4-6-12)9-13(10-15)16-7-1-2-8-16/h3-6,13H,1-2,7-9H2
InChIKeyIVDYRSLTUSZENW-UHFFFAOYSA-N
XLogP2.36
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]propanenitrile
CID 121304822
3-(2-chlorophenyl)-2-pyrrolidin-1-ylpropanenitrile
CID 82083241
2-fluoro-3-(4-fluorophenyl)propanenitrile
CID 115013228
acetonitrile;(2S)-2-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904143
2-amino-3-(4-fluorophenyl)propanenitrile
CID 45090820
3-(4-fluorophenyl)-2-hydroxypropanenitrile
CID 45090363
1-[1-(4-fluorophenyl)propan-2-yl]-1,5-diazocane
CID 62992839
2-(4-acetylpiperazin-1-yl)-3-phenylpropanenitrile
CID 82300086
(2R)-1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 2502673
1-(1,4-diphenylbut-3-yn-2-yl)pyrrolidine
CID 100954727
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[1-fluoro-2-(4-fluorophenyl)ethyl]piperazine;hydrochloride
CID 67446886

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile?
The IUPAC name of 3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile (CID 82079287) is 3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile.
What is the SMILES notation for 3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile?
The canonical SMILES for 3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile is N#CC(Cc1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile?
The InChIKey is IVDYRSLTUSZENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-12-5-3-11(4-6-12)9-13(10-15)16-7-1-2-8-16/h3-6,13H,1-2,7-9H2.
What are the key properties of 3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile?
3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile has a molecular weight of 218.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile is sourced from PubChem (CID 82079287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).