2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine

C12H15ClFNO — CID 117361392

IUPAC2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1ccc(C2(C)CCCN2)c(F)c1Cl
InChIInChI=1S/C12H15ClFNO/c1-12(6-3-7-15-12)8-4-5-9(16-2)10(13)11(8)14/h4-5,15H,3,6-7H2,1-2H3
InChIKeyPARZBXHSBOXHGR-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.09
Rot. Bonds2

About 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine

2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine (PubChem CID 117361392) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
PubChem CID117361392
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1ccc(C2(C)CCCN2)c(F)c1Cl
InChIInChI=1S/C12H15ClFNO/c1-12(6-3-7-15-12)8-4-5-9(16-2)10(13)11(8)14/h4-5,15H,3,6-7H2,1-2H3
InChIKeyPARZBXHSBOXHGR-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117422224
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine
CID 117472518
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117361396
2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117355185
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870
3-chloro-2-fluoro-1-(1-isocyanatocyclobutyl)-4-methoxybenzene
CID 117392050

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine (CID 117361392) is 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine is COc1ccc(C2(C)CCCN2)c(F)c1Cl.
What is the InChIKey of 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine?
The InChIKey is PARZBXHSBOXHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-12(6-3-7-15-12)8-4-5-9(16-2)10(13)11(8)14/h4-5,15H,3,6-7H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine?
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine has a molecular weight of 243.71 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117361392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).