2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine

C12H15ClFNO — CID 117361396

IUPAC2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1cc(C2(C)CCCN2)cc(F)c1Cl
InChIInChI=1S/C12H15ClFNO/c1-12(4-3-5-15-12)8-6-9(14)11(13)10(7-8)16-2/h6-7,15H,3-5H2,1-2H3
InChIKeyOLCFEUOAVXITRX-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.09
Rot. Bonds2

About 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine

2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine (PubChem CID 117361396) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
PubChem CID117361396
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1cc(C2(C)CCCN2)cc(F)c1Cl
InChIInChI=1S/C12H15ClFNO/c1-12(4-3-5-15-12)8-6-9(14)11(13)10(7-8)16-2/h6-7,15H,3-5H2,1-2H3
InChIKeyOLCFEUOAVXITRX-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-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784320
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 117396154
2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine
CID 117335365
2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine
CID 117401425
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117363594
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
2-(3-chloro-5-methylphenyl)-2-methylpyrrolidine
CID 117299720
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
3-fluoro-2-methyl-5-(2-methylpyrrolidin-2-yl)benzoic acid
CID 117346601

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine (CID 117361396) is 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine is COc1cc(C2(C)CCCN2)cc(F)c1Cl.
What is the InChIKey of 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine?
The InChIKey is OLCFEUOAVXITRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-12(4-3-5-15-12)8-6-9(14)11(13)10(7-8)16-2/h6-7,15H,3-5H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine?
2-(4-chloro-3-fluoro-5-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-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117361396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).