(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine

C10H10Cl3N — CID 130622124

IUPAC(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine
SMILESClc1ccc(Cl)c([C@@H]2CCCN2)c1Cl
InChIInChI=1S/C10H10Cl3N/c11-6-3-4-7(12)10(13)9(6)8-2-1-5-14-8/h3-4,8,14H,1-2,5H2/t8-/m0/s1
InChIKeyDMXOEFFHNCINRM-QMMMGPOBSA-N
MW250.56 g/mol
LogP4.07
Rot. Bonds1

About (2S)-2-(2,3,6-trichlorophenyl)pyrrolidine

(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine (PubChem CID 130622124) has the molecular formula C10H10Cl3N and a molecular weight of 250.56 g/mol. Its IUPAC name is (2S)-2-(2,3,6-trichlorophenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine
PubChem CID130622124
Molecular FormulaC10H10Cl3N
Molecular Weight250.56 g/mol
Exact Mass248.99
IUPAC Name(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine
SMILESClc1ccc(Cl)c([C@@H]2CCCN2)c1Cl
InChIInChI=1S/C10H10Cl3N/c11-6-3-4-7(12)10(13)9(6)8-2-1-5-14-8/h3-4,8,14H,1-2,5H2/t8-/m0/s1
InChIKeyDMXOEFFHNCINRM-QMMMGPOBSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride
CID 171196089
6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol
CID 131173682
(2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine
CID 131096633
(2R)-2-(2,3,6-trichlorophenyl)piperazine
CID 171194626
(2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride
CID 171194627
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
2-(6-chloro-4H-1,3-benzodioxin-5-yl)pyrrolidine
CID 84701571
3-chloro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84782064
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682
(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3,6-trichlorophenyl)pyrrolidine?
The IUPAC name of (2S)-2-(2,3,6-trichlorophenyl)pyrrolidine (CID 130622124) is (2S)-2-(2,3,6-trichlorophenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(2,3,6-trichlorophenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(2,3,6-trichlorophenyl)pyrrolidine is Clc1ccc(Cl)c([C@@H]2CCCN2)c1Cl.
What is the InChIKey of (2S)-2-(2,3,6-trichlorophenyl)pyrrolidine?
The InChIKey is DMXOEFFHNCINRM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10Cl3N/c11-6-3-4-7(12)10(13)9(6)8-2-1-5-14-8/h3-4,8,14H,1-2,5H2/t8-/m0/s1.
What are the key properties of (2S)-2-(2,3,6-trichlorophenyl)pyrrolidine?
(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine has a molecular weight of 250.56 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3,6-trichlorophenyl)pyrrolidine is sourced from PubChem (CID 130622124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).