(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride

C10H11Cl2F2N — CID 171196413

IUPAC(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1ccc(Cl)c(F)c1[C@@H]1CCCN1
InChIInChI=1S/C10H10ClF2N.ClH/c11-6-3-4-7(12)9(10(6)13)8-2-1-5-14-8;/h3-4,8,14H,1-2,5H2;1H/t8-;/m0./s1
InChIKeyIMKJGKPNEZZEMV-QRPNPIFTSA-N
MW254.11 g/mol
LogP3.46
Rot. Bonds1

About (2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride

(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride (PubChem CID 171196413) has the molecular formula C10H11Cl2F2N and a molecular weight of 254.11 g/mol. Its IUPAC name is (2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
PubChem CID171196413
Molecular FormulaC10H11Cl2F2N
Molecular Weight254.11 g/mol
Exact Mass253.02
IUPAC Name(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1ccc(Cl)c(F)c1[C@@H]1CCCN1
InChIInChI=1S/C10H10ClF2N.ClH/c11-6-3-4-7(12)9(10(6)13)8-2-1-5-14-8;/h3-4,8,14H,1-2,5H2;1H/t8-;/m0./s1
InChIKeyIMKJGKPNEZZEMV-QRPNPIFTSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 53.46
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

2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
(2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine
CID 131096633
2,4-difluoro-3-pyrrolidin-2-ylphenol
CID 84775150
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
CID 171196574
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031
(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682
2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine
CID 117330920
(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride
CID 171196089
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
CID 131546881

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride (CID 171196413) is (2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride is Cl.Fc1ccc(Cl)c(F)c1[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride?
The InChIKey is IMKJGKPNEZZEMV-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H10ClF2N.ClH/c11-6-3-4-7(12)9(10(6)13)8-2-1-5-14-8;/h3-4,8,14H,1-2,5H2;1H/t8-;/m0./s1.
What are the key properties of (2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride?
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride has a molecular weight of 254.11 g/mol, XLogP of 3.46, 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-2,6-difluorophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 171196413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).