(3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine

C18H19F2NO2 — CID 68922885

IUPAC(3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine
SMILESCOc1ccc(-c2ccc(F)cc2CO[C@H]2CCNC2)cc1F
InChIInChI=1S/C18H19F2NO2/c1-22-18-5-2-12(9-17(18)20)16-4-3-14(19)8-13(16)11-23-15-6-7-21-10-15/h2-5,8-9,15,21H,6-7,10-11H2,1H3/t15-/m0/s1
InChIKeyIOMIDHMCDQKKGA-HNNXBMFYSA-N
MW319.35 g/mol
LogP3.52
Rot. Bonds5

About (3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine

(3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine (PubChem CID 68922885) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is (3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine
PubChem CID68922885
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name(3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine
SMILESCOc1ccc(-c2ccc(F)cc2CO[C@H]2CCNC2)cc1F
InChIInChI=1S/C18H19F2NO2/c1-22-18-5-2-12(9-17(18)20)16-4-3-14(19)8-13(16)11-23-15-6-7-21-10-15/h2-5,8-9,15,21H,6-7,10-11H2,1H3/t15-/m0/s1
InChIKeyIOMIDHMCDQKKGA-HNNXBMFYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine
CID 68927392
3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine
CID 68926900
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol
CID 68923382
2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol
CID 68923378
(3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 66247179
2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine
CID 68927938
4-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 43167840
3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine
CID 68927596
3-[(5-fluoro-2-methylphenyl)methoxy]piperidine
CID 112694932
2-(3,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine
CID 68924816
3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine
CID 68921724

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine?
The IUPAC name of (3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine (CID 68922885) is (3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine.
What is the SMILES notation for (3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine?
The canonical SMILES for (3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine is COc1ccc(-c2ccc(F)cc2CO[C@H]2CCNC2)cc1F.
What is the InChIKey of (3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine?
The InChIKey is IOMIDHMCDQKKGA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-22-18-5-2-12(9-17(18)20)16-4-3-14(19)8-13(16)11-23-15-6-7-21-10-15/h2-5,8-9,15,21H,6-7,10-11H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine?
(3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine has a molecular weight of 319.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine is sourced from PubChem (CID 68922885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).