(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine

C10H11ClFN — CID 66518568

IUPAC(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
SMILESFc1cc(Cl)cc([C@@H]2CCCN2)c1
InChIInChI=1S/C10H11ClFN/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3H2/t10-/m0/s1
InChIKeyLFYUKIRTOWJMTO-JTQLQIEISA-N
MW199.66 g/mol
LogP2.90
Rot. Bonds1

About (2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine

(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine (PubChem CID 66518568) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is (2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
PubChem CID66518568
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
SMILESFc1cc(Cl)cc([C@@H]2CCCN2)c1
InChIInChI=1S/C10H11ClFN/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3H2/t10-/m0/s1
InChIKeyLFYUKIRTOWJMTO-JTQLQIEISA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine 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
3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile
CID 66518446
2-(3-fluoro-5-methylphenyl)piperidine
CID 55297533
2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 84779760
2-(3-chloro-5-methylphenyl)piperidine
CID 84781097
3-(3-chloro-5-fluorophenyl)piperidine
CID 24904336
3-fluoro-5-[(2S)-pyrrolidin-2-yl]benzoic acid;hydrochloride
CID 162344515
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 130664608
3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 154733314
2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733
(2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine
CID 126652081

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine?
The IUPAC name of (2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine (CID 66518568) is (2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine is Fc1cc(Cl)cc([C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine?
The InChIKey is LFYUKIRTOWJMTO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11ClFN/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3H2/t10-/m0/s1.
What are the key properties of (2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine?
(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine has a molecular weight of 199.66 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine is sourced from PubChem (CID 66518568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).