4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol

C11H13ClFNO2 — CID 117366622

IUPAC4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
SMILESCOc1cc(Cl)c(F)c(C2CCNC2)c1O
InChIInChI=1S/C11H13ClFNO2/c1-16-8-4-7(12)10(13)9(11(8)15)6-2-3-14-5-6/h4,6,14-15H,2-3,5H2,1H3
InChIKeyXIJKVEQAMXUNJQ-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.27
Rot. Bonds2

About 4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol

4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol (PubChem CID 117366622) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
PubChem CID117366622
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
SMILESCOc1cc(Cl)c(F)c(C2CCNC2)c1O
InChIInChI=1S/C11H13ClFNO2/c1-16-8-4-7(12)10(13)9(11(8)15)6-2-3-14-5-6/h4,6,14-15H,2-3,5H2,1H3
InChIKeyXIJKVEQAMXUNJQ-UHFFFAOYSA-N
XLogP2.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117468431
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol
CID 117366624
3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine
CID 117489218
3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117359549
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
CID 84704148
3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
CID 117382800
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
CID 84792614
3-(5-chloro-2,3-dimethoxy-6-nitrophenyl)pyrrolidine
CID 165355585
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol?
The IUPAC name of 4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol (CID 117366622) is 4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol.
What is the SMILES notation for 4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol?
The canonical SMILES for 4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol is COc1cc(Cl)c(F)c(C2CCNC2)c1O.
What is the InChIKey of 4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol?
The InChIKey is XIJKVEQAMXUNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-16-8-4-7(12)10(13)9(11(8)15)6-2-3-14-5-6/h4,6,14-15H,2-3,5H2,1H3.
What are the key properties of 4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol?
4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol has a molecular weight of 245.68 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol is sourced from PubChem (CID 117366622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).