2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine

C14H18F3NO2 — CID 117467262

IUPAC2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCOc1ccc(C(F)(F)F)c(CC2CCCN2)c1OC
InChIInChI=1S/C14H18F3NO2/c1-19-12-6-5-11(14(15,16)17)10(13(12)20-2)8-9-4-3-7-18-9/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeySBSIPVFPJPTILC-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.02
Rot. Bonds4

About 2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine

2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 117467262) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID117467262
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCOc1ccc(C(F)(F)F)c(CC2CCCN2)c1OC
InChIInChI=1S/C14H18F3NO2/c1-19-12-6-5-11(14(15,16)17)10(13(12)20-2)8-9-4-3-7-18-9/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeySBSIPVFPJPTILC-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117401448
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine
CID 117413480
2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
CID 117439926
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 117465016
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine
CID 117386317
2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 117391311
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 117467262) is 2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine is COc1ccc(C(F)(F)F)c(CC2CCCN2)c1OC.
What is the InChIKey of 2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is SBSIPVFPJPTILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-19-12-6-5-11(14(15,16)17)10(13(12)20-2)8-9-4-3-7-18-9/h5-6,9,18H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine?
2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 289.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 117467262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).