3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine

C11H13ClFN — CID 84680018

IUPAC3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
SMILESCc1cc(Cl)c(F)c(C2CCNC2)c1
InChIInChI=1S/C11H13ClFN/c1-7-4-9(8-2-3-14-6-8)11(13)10(12)5-7/h4-5,8,14H,2-3,6H2,1H3
InChIKeyWHEWEKDCBSKUPG-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.86
Rot. Bonds1

About 3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine

3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine (PubChem CID 84680018) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
PubChem CID84680018
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
SMILESCc1cc(Cl)c(F)c(C2CCNC2)c1
InChIInChI=1S/C11H13ClFN/c1-7-4-9(8-2-3-14-6-8)11(13)10(12)5-7/h4-5,8,14H,2-3,6H2,1H3
InChIKeyWHEWEKDCBSKUPG-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772855
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
2-fluoro-5-methyl-3-piperidin-3-ylphenol
CID 117298905
3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
CID 84781090
3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine
CID 117449128
(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 96760582
2-fluoro-5-methyl-3-piperidin-4-ylphenol
CID 117299013
3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 82607556
3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine
CID 117397957
3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772856
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
(3S)-3-(2-iodo-5-methylphenyl)pyrrolidine
CID 130664930

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine?
The IUPAC name of 3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine (CID 84680018) is 3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine is Cc1cc(Cl)c(F)c(C2CCNC2)c1.
What is the InChIKey of 3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine?
The InChIKey is WHEWEKDCBSKUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-7-4-9(8-2-3-14-6-8)11(13)10(12)5-7/h4-5,8,14H,2-3,6H2,1H3.
What are the key properties of 3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine?
3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine has a molecular weight of 213.68 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine is sourced from PubChem (CID 84680018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).