3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine

C12H15ClFNO — CID 84704148

IUPAC3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
SMILESCOc1c(F)cc(Cl)c(C)c1C1CCNC1
InChIInChI=1S/C12H15ClFNO/c1-7-9(13)5-10(14)12(16-2)11(7)8-3-4-15-6-8/h5,8,15H,3-4,6H2,1-2H3
InChIKeyDJWHPUKGNKYWBJ-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.87
Rot. Bonds2

About 3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine

3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine (PubChem CID 84704148) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
PubChem CID84704148
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
SMILESCOc1c(F)cc(Cl)c(C)c1C1CCNC1
InChIInChI=1S/C12H15ClFNO/c1-7-9(13)5-10(14)12(16-2)11(7)8-3-4-15-6-8/h5,8,15H,3-4,6H2,1-2H3
InChIKeyDJWHPUKGNKYWBJ-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
CID 117331486
3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117359549
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol
CID 117356276
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
CID 117469664
4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117366622
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
CID 117427657
3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979
3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine
CID 117456300

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine?
The IUPAC name of 3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine (CID 84704148) is 3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine is COc1c(F)cc(Cl)c(C)c1C1CCNC1.
What is the InChIKey of 3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine?
The InChIKey is DJWHPUKGNKYWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-7-9(13)5-10(14)12(16-2)11(7)8-3-4-15-6-8/h5,8,15H,3-4,6H2,1-2H3.
What are the key properties of 3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine?
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine has a molecular weight of 243.71 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine is sourced from PubChem (CID 84704148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).