2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine

C13H17ClFNO2 — CID 117437129

IUPAC2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
SMILESCOc1c(CC2CCCN2)cc(Cl)c(F)c1OC
InChIInChI=1S/C13H17ClFNO2/c1-17-12-8(6-9-4-3-5-16-9)7-10(14)11(15)13(12)18-2/h7,9,16H,3-6H2,1-2H3
InChIKeyLWGZYGPJSXZNSY-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.79
Rot. Bonds4

About 2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine

2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine (PubChem CID 117437129) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
PubChem CID117437129
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
SMILESCOc1c(CC2CCCN2)cc(Cl)c(F)c1OC
InChIInChI=1S/C13H17ClFNO2/c1-17-12-8(6-9-4-3-5-16-9)7-10(14)11(15)13(12)18-2/h7,9,16H,3-6H2,1-2H3
InChIKeyLWGZYGPJSXZNSY-UHFFFAOYSA-N
XLogP2.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117473874
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 84799672
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine
CID 117356661
2-[(5-bromo-2,3-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117499665
2-fluoro-3-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 84799673
4-bromo-2-fluoro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489185
4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489195

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine (CID 117437129) is 2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine is COc1c(CC2CCCN2)cc(Cl)c(F)c1OC.
What is the InChIKey of 2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine?
The InChIKey is LWGZYGPJSXZNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-17-12-8(6-9-4-3-5-16-9)7-10(14)11(15)13(12)18-2/h7,9,16H,3-6H2,1-2H3.
What are the key properties of 2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine?
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine has a molecular weight of 273.73 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117437129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).