3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine

C12H16FNO2 — CID 117323606

IUPAC3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
SMILESCOc1cc(F)cc(OC)c1C1CCNC1
InChIInChI=1S/C12H16FNO2/c1-15-10-5-9(13)6-11(16-2)12(10)8-3-4-14-7-8/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyIZFMRMNFQQTCCM-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.92
Rot. Bonds3

About 3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine

3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine (PubChem CID 117323606) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
PubChem CID117323606
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
SMILESCOc1cc(F)cc(OC)c1C1CCNC1
InChIInChI=1S/C12H16FNO2/c1-15-10-5-9(13)6-11(16-2)12(10)8-3-4-14-7-8/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyIZFMRMNFQQTCCM-UHFFFAOYSA-N
XLogP1.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117359549
3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
CID 169498266
3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine
CID 117489218
4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117366622
3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117468431
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
CID 117382800
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
3-fluoro-5-methoxy-4-piperidin-4-ylphenol
CID 84790128

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine (CID 117323606) is 3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine is COc1cc(F)cc(OC)c1C1CCNC1.
What is the InChIKey of 3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine?
The InChIKey is IZFMRMNFQQTCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-15-10-5-9(13)6-11(16-2)12(10)8-3-4-14-7-8/h5-6,8,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine?
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine has a molecular weight of 225.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 117323606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).