3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine

C12H15ClFN — CID 81165667

IUPAC3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)NCCC1c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFN/c1-12(2)9(5-6-15-12)8-3-4-11(14)10(13)7-8/h3-4,7,9,15H,5-6H2,1-2H3
InChIKeyCXFIZKMZBAKXEF-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.33
Rot. Bonds1

About 3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine

3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine (PubChem CID 81165667) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine
PubChem CID81165667
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine
SMILESCC1(C)NCCC1c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFN/c1-12(2)9(5-6-15-12)8-3-4-11(14)10(13)7-8/h3-4,7,9,15H,5-6H2,1-2H3
InChIKeyCXFIZKMZBAKXEF-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine
CID 79979954
(3R)-2,2-dimethyl-3-phenylpyrrolidine
CID 94411574
2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine
CID 81165826
3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine
CID 62354775
(2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 146096853
4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
CID 81156956
3-(3-chloro-4-fluorophenyl)-7-methyl-1,4-thiazepane
CID 66226046
(4R)-4-(3-chloro-4-fluorophenyl)-2,2-dimethylcyclopentan-1-one
CID 125498696
2-benzyl-3-(3-chloro-4-fluorophenyl)pyrrolidine
CID 81165823
2-(4-chlorophenyl)-3-fluoro-2-methylpyrrolidine
CID 115028533
2-(3-chloro-4-fluorophenyl)-5,5-diethylmorpholine
CID 62518626
1-(3-chloro-4-fluorophenyl)-7-methyl-1,4-diazepane
CID 82293523

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine (CID 81165667) is 3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine is CC1(C)NCCC1c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine?
The InChIKey is CXFIZKMZBAKXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-12(2)9(5-6-15-12)8-3-4-11(14)10(13)7-8/h3-4,7,9,15H,5-6H2,1-2H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine?
3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine has a molecular weight of 227.71 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 81165667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).