(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine

C11H13ClFN — CID 66518682

IUPAC(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
SMILESCc1ccc(F)c([C@H]2CCCN2)c1Cl
InChIInChI=1S/C11H13ClFN/c1-7-4-5-8(13)10(11(7)12)9-3-2-6-14-9/h4-5,9,14H,2-3,6H2,1H3/t9-/m1/s1
InChIKeyIDBFCTQZGAXYNG-SECBINFHSA-N
MW213.68 g/mol
LogP3.21
Rot. Bonds1

About (2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine

(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine (PubChem CID 66518682) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is (2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
PubChem CID66518682
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
SMILESCc1ccc(F)c([C@H]2CCCN2)c1Cl
InChIInChI=1S/C11H13ClFN/c1-7-4-5-8(13)10(11(7)12)9-3-2-6-14-9/h4-5,9,14H,2-3,6H2,1H3/t9-/m1/s1
InChIKeyIDBFCTQZGAXYNG-SECBINFHSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
3-chloro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84782064
2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
CID 84709372
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
CID 171193285
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
(2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine
CID 131096633
2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine
CID 117330920
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
2,4-difluoro-3-pyrrolidin-2-ylphenol
CID 84775150

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine?
The IUPAC name of (2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine (CID 66518682) is (2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine?
The canonical SMILES for (2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine is Cc1ccc(F)c([C@H]2CCCN2)c1Cl.
What is the InChIKey of (2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine?
The InChIKey is IDBFCTQZGAXYNG-SECBINFHSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-7-4-5-8(13)10(11(7)12)9-3-2-6-14-9/h4-5,9,14H,2-3,6H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine?
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine has a molecular weight of 213.68 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine is sourced from PubChem (CID 66518682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).