2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile

C8H13FN2O — CID 131009586

IUPAC2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile
SMILESN#CC1(CC(O)CF)CCCN1
InChIInChI=1S/C8H13FN2O/c9-5-7(12)4-8(6-10)2-1-3-11-8/h7,11-12H,1-5H2
InChIKeySRMJTKJQTGMZPA-UHFFFAOYSA-N
MW172.20 g/mol
LogP0.35
Rot. Bonds3

About 2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile

2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile (PubChem CID 131009586) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile
PubChem CID131009586
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile
SMILESN#CC1(CC(O)CF)CCCN1
InChIInChI=1S/C8H13FN2O/c9-5-7(12)4-8(6-10)2-1-3-11-8/h7,11-12H,1-5H2
InChIKeySRMJTKJQTGMZPA-UHFFFAOYSA-N
XLogP0.35
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroethyl)piperidine-2-carbonitrile
CID 126980040
2-(2-hydroxyethyl)piperidine-2-carbonitrile
CID 130542465
2-(3-methylbutyl)piperidine-2-carbonitrile
CID 130542472
2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile
CID 130601880
3-(3-fluoro-2-hydroxypropyl)-1,1-dioxothiolane-3-carbonitrile
CID 130905557
2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile
CID 130550060
2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile
CID 131115462
[(2R)-2-hydroxypyrrolidin-2-yl]methanediol
CID 166710865
2-cyclopropylpyrrolidine-2-carbonitrile
CID 90115241
1,3-difluoropropan-2-ol
CID 159459555
2-propan-2-ylpiperidine-2-carbonitrile
CID 84649702
2-cyano-N-methylpyrrolidine-2-carboxamide
CID 45115870

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile?
The IUPAC name of 2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile (CID 131009586) is 2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for 2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for 2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile is N#CC1(CC(O)CF)CCCN1.
What is the InChIKey of 2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile?
The InChIKey is SRMJTKJQTGMZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c9-5-7(12)4-8(6-10)2-1-3-11-8/h7,11-12H,1-5H2.
What are the key properties of 2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile?
2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile has a molecular weight of 172.20 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 131009586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).