3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile

C9H15FN2O — CID 130979445

IUPAC3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile
SMILESCCC(O)CN1CCC(F)(C#N)C1
InChIInChI=1S/C9H15FN2O/c1-2-8(13)5-12-4-3-9(10,6-11)7-12/h8,13H,2-5,7H2,1H3
InChIKeyOZXWEFGSROQDPX-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.69
Rot. Bonds3

About 3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile

3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile (PubChem CID 130979445) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile
PubChem CID130979445
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile
SMILESCCC(O)CN1CCC(F)(C#N)C1
InChIInChI=1S/C9H15FN2O/c1-2-8(13)5-12-4-3-9(10,6-11)7-12/h8,13H,2-5,7H2,1H3
InChIKeyOZXWEFGSROQDPX-UHFFFAOYSA-N
XLogP0.69
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile 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

(3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol
CID 122450703
3,3,3-Trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanenitrile
CID 103367871
3,3,3-trifluoro-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]propanenitrile
CID 103372196
3,3,3-trifluoro-2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]propanenitrile
CID 103372197
3-Fluoro-1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carbonitrile
CID 126992952
(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)butan-2-ol
CID 130626521
1-(3-Fluoro-3-methylpyrrolidin-1-yl)butan-2-ol
CID 130650895
3-fluoro-1-[(2S)-2-hydroxybutyl]pyrrolidine-3-carbonitrile
CID 130709246
1-(3-Fluoro-3-methylpyrrolidin-1-yl)propan-2-ol
CID 131089067
3-Fluoro-1-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carbonitrile
CID 131131698
1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile
CID 164653325
1-(3-Fluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carbonitrile
CID 164653430

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile (CID 130979445) is 3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile is CCC(O)CN1CCC(F)(C#N)C1.
What is the InChIKey of 3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile?
The InChIKey is OZXWEFGSROQDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-2-8(13)5-12-4-3-9(10,6-11)7-12/h8,13H,2-5,7H2,1H3.
What are the key properties of 3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile?
3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile has a molecular weight of 186.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-hydroxybutyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 130979445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).