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

C10H11ClFN — CID 131096637

IUPAC(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
SMILESFc1c(Cl)cccc1[C@@H]1CCNC1
InChIInChI=1S/C10H11ClFN/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-3,7,13H,4-6H2/t7-/m1/s1
InChIKeySSSBHXHRKJDXNE-SSDOTTSWSA-N
MW199.66 g/mol
LogP2.56
Rot. Bonds1

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

(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine (PubChem CID 131096637) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is (3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
PubChem CID131096637
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
SMILESFc1c(Cl)cccc1[C@@H]1CCNC1
InChIInChI=1S/C10H11ClFN/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-3,7,13H,4-6H2/t7-/m1/s1
InChIKeySSSBHXHRKJDXNE-SSDOTTSWSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-3-(3-chloro-2-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-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848
2-chloro-6-pyrrolidin-3-ylaniline
CID 117103718
3-(2-chloro-3-fluorophenyl)pyrrolidine;hydrochloride
CID 169498402
4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 114489277
3-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride
CID 169498555
3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 84680018
3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine
CID 66876690
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 96760582
3-(2,3-dichlorophenyl)piperidine
CID 24904244
3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 82607556

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine?
The IUPAC name of (3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine (CID 131096637) is (3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine?
The canonical SMILES for (3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine is Fc1c(Cl)cccc1[C@@H]1CCNC1.
What is the InChIKey of (3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine?
The InChIKey is SSSBHXHRKJDXNE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-3,7,13H,4-6H2/t7-/m1/s1.
What are the key properties of (3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine?
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine has a molecular weight of 199.66 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine is sourced from PubChem (CID 131096637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).