3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine

C13H18FNO2 — CID 117351158

IUPAC3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine
SMILESCOCc1c(F)ccc(C2CCNC2)c1OC
InChIInChI=1S/C13H18FNO2/c1-16-8-11-12(14)4-3-10(13(11)17-2)9-5-6-15-7-9/h3-4,9,15H,5-8H2,1-2H3
InChIKeyJKRQPPVUCIKNDB-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.06
Rot. Bonds4

About 3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine

3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine (PubChem CID 117351158) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine
PubChem CID117351158
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine
SMILESCOCc1c(F)ccc(C2CCNC2)c1OC
InChIInChI=1S/C13H18FNO2/c1-16-8-11-12(14)4-3-10(13(11)17-2)9-5-6-15-7-9/h3-4,9,15H,5-8H2,1-2H3
InChIKeyJKRQPPVUCIKNDB-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine
CID 117381710
3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine
CID 117299003
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
CID 117331486
3-(2,4-dimethoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117386712
4-[2-methoxy-3-(methoxymethyl)phenyl]piperidine
CID 117343038
3-(3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117293921
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
3-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]pyrrolidine
CID 117465145
2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol
CID 84710536
4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine
CID 117386422
3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117377277
2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
CID 84792614

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine?
The IUPAC name of 3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine (CID 117351158) is 3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine is COCc1c(F)ccc(C2CCNC2)c1OC.
What is the InChIKey of 3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine?
The InChIKey is JKRQPPVUCIKNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-8-11-12(14)4-3-10(13(11)17-2)9-5-6-15-7-9/h3-4,9,15H,5-8H2,1-2H3.
What are the key properties of 3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine?
3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine has a molecular weight of 239.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine is sourced from PubChem (CID 117351158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).