2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine

C13H17F2NO2 — CID 116838944

IUPAC2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine
SMILESCOc1ccc(OC)c(C(F)(F)C2CCCN2)c1
InChIInChI=1S/C13H17F2NO2/c1-17-9-5-6-11(18-2)10(8-9)13(14,15)12-4-3-7-16-12/h5-6,8,12,16H,3-4,7H2,1-2H3
InChIKeyGLLZLIAFOFIQSY-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.55
Rot. Bonds4

About 2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine

2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine (PubChem CID 116838944) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine
PubChem CID116838944
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine
SMILESCOc1ccc(OC)c(C(F)(F)C2CCCN2)c1
InChIInChI=1S/C13H17F2NO2/c1-17-9-5-6-11(18-2)10(8-9)13(14,15)12-4-3-7-16-12/h5-6,8,12,16H,3-4,7H2,1-2H3
InChIKeyGLLZLIAFOFIQSY-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-methoxyphenyl)-difluoromethyl]piperidine
CID 116839169
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 117435551
2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine
CID 105499373
2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine
CID 116838978
2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine
CID 117033009
2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene
CID 116841637
2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117401448
(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171196000
1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 82239533
1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82291205
(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82291674
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine (CID 116838944) is 2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine is COc1ccc(OC)c(C(F)(F)C2CCCN2)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine?
The InChIKey is GLLZLIAFOFIQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-17-9-5-6-11(18-2)10(8-9)13(14,15)12-4-3-7-16-12/h5-6,8,12,16H,3-4,7H2,1-2H3.
What are the key properties of 2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine?
2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine has a molecular weight of 257.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine is sourced from PubChem (CID 116838944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).