(2R)-2-fluoropyrrolidine;hydrochloride

C4H9ClFN — CID 67095482

IUPAC(2R)-2-fluoropyrrolidine;hydrochloride
SMILESCl.F[C@@H]1CCCN1
InChIInChI=1S/C4H8FN.ClH/c5-4-2-1-3-6-4;/h4,6H,1-3H2;1H/t4-;/m0./s1
InChIKeyATQCVBSJZHUXIQ-WCCKRBBISA-N
MW125.57 g/mol
LogP1.09
Rot. Bonds

About (2R)-2-fluoropyrrolidine;hydrochloride

(2R)-2-fluoropyrrolidine;hydrochloride (PubChem CID 67095482) has the molecular formula C4H9ClFN and a molecular weight of 125.57 g/mol. Its IUPAC name is (2R)-2-fluoropyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-fluoropyrrolidine;hydrochloride
PubChem CID67095482
Molecular FormulaC4H9ClFN
Molecular Weight125.57 g/mol
Exact Mass125.04
IUPAC Name(2R)-2-fluoropyrrolidine;hydrochloride
SMILESCl.F[C@@H]1CCCN1
InChIInChI=1S/C4H8FN.ClH/c5-4-2-1-3-6-4;/h4,6H,1-3H2;1H/t4-;/m0./s1
InChIKeyATQCVBSJZHUXIQ-WCCKRBBISA-N
XLogP1.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.57
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride
CID 162342228
2-methylpyrrolidine
CID 142041388
2-methylpyrrolidine
CID 13003
2-cyclopentyl-3-fluoropiperidine
CID 84717416
pyrrolidin-2-ylmethanethiol
CID 15793333
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031
3-chloro-2-(trifluoromethyl)piperidine
CID 141294308
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 58044710
2-pyrrolidin-2-ylpiperidine
CID 14810994
3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride
CID 115039873
(2S,3S)-3-fluoro-2-phenylpiperidine;hydrochloride
CID 167716918
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231

Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoropyrrolidine;hydrochloride?
The IUPAC name of (2R)-2-fluoropyrrolidine;hydrochloride (CID 67095482) is (2R)-2-fluoropyrrolidine;hydrochloride.
What is the SMILES notation for (2R)-2-fluoropyrrolidine;hydrochloride?
The canonical SMILES for (2R)-2-fluoropyrrolidine;hydrochloride is Cl.F[C@@H]1CCCN1.
What is the InChIKey of (2R)-2-fluoropyrrolidine;hydrochloride?
The InChIKey is ATQCVBSJZHUXIQ-WCCKRBBISA-N. The full InChI is InChI=1S/C4H8FN.ClH/c5-4-2-1-3-6-4;/h4,6H,1-3H2;1H/t4-;/m0./s1.
What are the key properties of (2R)-2-fluoropyrrolidine;hydrochloride?
(2R)-2-fluoropyrrolidine;hydrochloride has a molecular weight of 125.57 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoropyrrolidine;hydrochloride is sourced from PubChem (CID 67095482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).