2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine

C13H17F2NO2 — CID 117396171

IUPAC2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
SMILESCOc1cc(OC)c(F)c(CC2CCCN2)c1F
InChIInChI=1S/C13H17F2NO2/c1-17-10-7-11(18-2)13(15)9(12(10)14)6-8-4-3-5-16-8/h7-8,16H,3-6H2,1-2H3
InChIKeyVREXNXBKDQRCMJ-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.28
Rot. Bonds4

About 2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine

2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine (PubChem CID 117396171) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
PubChem CID117396171
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
SMILESCOc1cc(OC)c(F)c(CC2CCCN2)c1F
InChIInChI=1S/C13H17F2NO2/c1-17-10-7-11(18-2)13(15)9(12(10)14)6-8-4-3-5-16-8/h7-8,16H,3-6H2,1-2H3
InChIKeyVREXNXBKDQRCMJ-UHFFFAOYSA-N
XLogP2.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methyl]pyrrolidine
CID 117385517
2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 117465016
2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355169
2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417625
2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine
CID 117392683
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine
CID 117386317
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417638
2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine
CID 117118294

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine (CID 117396171) is 2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine is COc1cc(OC)c(F)c(CC2CCCN2)c1F.
What is the InChIKey of 2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine?
The InChIKey is VREXNXBKDQRCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-17-10-7-11(18-2)13(15)9(12(10)14)6-8-4-3-5-16-8/h7-8,16H,3-6H2,1-2H3.
What are the key properties of 2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine?
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine has a molecular weight of 257.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117396171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).