2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine

C13H18FNO2 — CID 84701267

IUPAC2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine
SMILESCOc1cc(CF)c(C2CCCN2)cc1OC
InChIInChI=1S/C13H18FNO2/c1-16-12-6-9(8-14)10(7-13(12)17-2)11-4-3-5-15-11/h6-7,11,15H,3-5,8H2,1-2H3
InChIKeyOAZHKIYZNHKPJW-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.60
Rot. Bonds4

About 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine

2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine (PubChem CID 84701267) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine
PubChem CID84701267
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine
SMILESCOc1cc(CF)c(C2CCCN2)cc1OC
InChIInChI=1S/C13H18FNO2/c1-16-12-6-9(8-14)10(7-13(12)17-2)11-4-3-5-15-11/h6-7,11,15H,3-5,8H2,1-2H3
InChIKeyOAZHKIYZNHKPJW-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]pyrrolidine
CID 84701260
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine
CID 117381690
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
CID 117421939
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline
CID 117379645
5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66519127
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine
CID 84677004
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine?
The IUPAC name of 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine (CID 84701267) is 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine.
What is the SMILES notation for 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine?
The canonical SMILES for 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine is COc1cc(CF)c(C2CCCN2)cc1OC.
What is the InChIKey of 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine?
The InChIKey is OAZHKIYZNHKPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-12-6-9(8-14)10(7-13(12)17-2)11-4-3-5-15-11/h6-7,11,15H,3-5,8H2,1-2H3.
What are the key properties of 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine?
2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine has a molecular weight of 239.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine is sourced from PubChem (CID 84701267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).