2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol

C11H13F2NO2 — CID 84792614

IUPAC2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
SMILESCOc1c(C2CCNC2)cc(F)c(O)c1F
InChIInChI=1S/C11H13F2NO2/c1-16-11-7(6-2-3-14-5-6)4-8(12)10(15)9(11)13/h4,6,14-15H,2-3,5H2,1H3
InChIKeyIKKBRXVZPFTZIX-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.76
Rot. Bonds2

About 2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol

2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol (PubChem CID 84792614) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
PubChem CID84792614
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
SMILESCOc1c(C2CCNC2)cc(F)c(O)c1F
InChIInChI=1S/C11H13F2NO2/c1-16-11-7(6-2-3-14-5-6)4-8(12)10(15)9(11)13/h4,6,14-15H,2-3,5H2,1H3
InChIKeyIKKBRXVZPFTZIX-UHFFFAOYSA-N
XLogP1.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
CID 84799689
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
CID 117331486
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
CID 117489228
3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
3-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)pyrrolidine
CID 117465146
2,6-difluoro-4-pyrrolidin-3-ylphenol
CID 84775153
3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117359549
2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol
CID 84710536
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine
CID 117351158

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol?
The IUPAC name of 2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol (CID 84792614) is 2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol.
What is the SMILES notation for 2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol?
The canonical SMILES for 2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol is COc1c(C2CCNC2)cc(F)c(O)c1F.
What is the InChIKey of 2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol?
The InChIKey is IKKBRXVZPFTZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-16-11-7(6-2-3-14-5-6)4-8(12)10(15)9(11)13/h4,6,14-15H,2-3,5H2,1H3.
What are the key properties of 2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol?
2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol has a molecular weight of 229.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol is sourced from PubChem (CID 84792614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).