5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile

C17H21FN2 — CID 103758407

IUPAC5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(CN2CCCC2C2CCCC2)ccc1F
InChIInChI=1S/C17H21FN2/c18-16-8-7-13(10-15(16)11-19)12-20-9-3-6-17(20)14-4-1-2-5-14/h7-8,10,14,17H,1-6,9,12H2
InChIKeyUSXWXTQOWQWYTF-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.85
Rot. Bonds3

About 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile

5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile (PubChem CID 103758407) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile
PubChem CID103758407
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(CN2CCCC2C2CCCC2)ccc1F
InChIInChI=1S/C17H21FN2/c18-16-8-7-13(10-15(16)11-19)12-20-9-3-6-17(20)14-4-1-2-5-14/h7-8,10,14,17H,1-6,9,12H2
InChIKeyUSXWXTQOWQWYTF-UHFFFAOYSA-N
XLogP3.85
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480463
2-fluoro-5-[[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480461
2-fluoro-5-[[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480462
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile
CID 61073075
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)benzonitrile
CID 43408270
[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878335
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-fluorophenol
CID 107694123
2-fluoro-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 122138422
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-fluorobenzonitrile
CID 102726395
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)benzonitrile
CID 43408898
2-fluoro-5-[[2-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]benzonitrile
CID 107887854
2-fluoro-5-[[2-(4-hydroxy-4-methyloxan-3-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 167902401

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile (CID 103758407) is 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile is N#Cc1cc(CN2CCCC2C2CCCC2)ccc1F.
What is the InChIKey of 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile?
The InChIKey is USXWXTQOWQWYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c18-16-8-7-13(10-15(16)11-19)12-20-9-3-6-17(20)14-4-1-2-5-14/h7-8,10,14,17H,1-6,9,12H2.
What are the key properties of 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile?
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile has a molecular weight of 272.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 103758407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).