3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol

C11H13F2NO2 — CID 84692495

IUPAC3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
SMILESCOc1c(F)cc(F)c(C2CCNC2)c1O
InChIInChI=1S/C11H13F2NO2/c1-16-11-8(13)4-7(12)9(10(11)15)6-2-3-14-5-6/h4,6,14-15H,2-3,5H2,1H3
InChIKeyDDRCBTNGRYIGEA-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.76
Rot. Bonds2

About 3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol

3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol (PubChem CID 84692495) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
PubChem CID84692495
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
SMILESCOc1c(F)cc(F)c(C2CCNC2)c1O
InChIInChI=1S/C11H13F2NO2/c1-16-11-8(13)4-7(12)9(10(11)15)6-2-3-14-5-6/h4,6,14-15H,2-3,5H2,1H3
InChIKeyDDRCBTNGRYIGEA-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

2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
CID 84792614
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
CID 84704148
3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117359549
3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117468431
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
CID 117331486
4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117366622
3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine
CID 117489218
3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol
CID 117356276
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
2,6-difluoro-4-pyrrolidin-3-ylphenol
CID 84775153
3-fluoro-5-methoxy-4-piperidin-4-ylphenol
CID 84790128

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol?
The IUPAC name of 3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol (CID 84692495) is 3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol.
What is the SMILES notation for 3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol?
The canonical SMILES for 3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol is COc1c(F)cc(F)c(C2CCNC2)c1O.
What is the InChIKey of 3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol?
The InChIKey is DDRCBTNGRYIGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-16-11-8(13)4-7(12)9(10(11)15)6-2-3-14-5-6/h4,6,14-15H,2-3,5H2,1H3.
What are the key properties of 3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol?
3,5-difluoro-2-methoxy-6-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 3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol is sourced from PubChem (CID 84692495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).