3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile

C11H11FN2 — CID 66518446

IUPAC3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile
SMILESN#Cc1cc(F)cc([C@H]2CCCN2)c1
InChIInChI=1S/C11H11FN2/c12-10-5-8(7-13)4-9(6-10)11-2-1-3-14-11/h4-6,11,14H,1-3H2/t11-/m1/s1
InChIKeySUHUMHAECGCMOK-LLVKDONJSA-N
MW190.22 g/mol
LogP2.12
Rot. Bonds1

About 3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile

3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile (PubChem CID 66518446) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile
PubChem CID66518446
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile
SMILESN#Cc1cc(F)cc([C@H]2CCCN2)c1
InChIInChI=1S/C11H11FN2/c12-10-5-8(7-13)4-9(6-10)11-2-1-3-14-11/h4-6,11,14H,1-3H2/t11-/m1/s1
InChIKeySUHUMHAECGCMOK-LLVKDONJSA-N
XLogP2.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline
CID 130614762
2-(3-fluoro-5-methylphenyl)piperidine
CID 55297533
(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
CID 66518568
2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 84779760
3-fluoro-5-[(2S)-pyrrolidin-2-yl]benzoic acid;hydrochloride
CID 162344515
3-(azetidin-2-yl)-5-bromobenzonitrile
CID 130043935
3-[(2S)-azetidin-2-yl]-5-bromobenzonitrile
CID 131182246
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-methyl-4-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 66518349
2-hydroxy-5-pyrrolidin-2-ylbenzonitrile
CID 77131425
3-(4-ethylcyclohexyl)-5-fluorobenzonitrile
CID 67710853
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile?
The IUPAC name of 3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile (CID 66518446) is 3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile?
The canonical SMILES for 3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile is N#Cc1cc(F)cc([C@H]2CCCN2)c1.
What is the InChIKey of 3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile?
The InChIKey is SUHUMHAECGCMOK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11FN2/c12-10-5-8(7-13)4-9(6-10)11-2-1-3-14-11/h4-6,11,14H,1-3H2/t11-/m1/s1.
What are the key properties of 3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile?
3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile has a molecular weight of 190.22 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile is sourced from PubChem (CID 66518446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).