6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol

C10H11BrFNO — CID 168515676

IUPAC6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol
SMILESOc1c(Br)ccc(F)c1N1CCCC1
InChIInChI=1S/C10H11BrFNO/c11-7-3-4-8(12)9(10(7)14)13-5-1-2-6-13/h3-4,14H,1-2,5-6H2
InChIKeyWUWZSGCKJKBEQT-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.89
Rot. Bonds1

About 6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol

6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol (PubChem CID 168515676) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol.

Molecular Properties

Compound Name6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol
PubChem CID168515676
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol
SMILESOc1c(Br)ccc(F)c1N1CCCC1
InChIInChI=1S/C10H11BrFNO/c11-7-3-4-8(12)9(10(7)14)13-5-1-2-6-13/h3-4,14H,1-2,5-6H2
InChIKeyWUWZSGCKJKBEQT-UHFFFAOYSA-N
XLogP2.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol?
The IUPAC name of 6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol (CID 168515676) is 6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol.
What is the SMILES notation for 6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol?
The canonical SMILES for 6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol is Oc1c(Br)ccc(F)c1N1CCCC1.
What is the InChIKey of 6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol?
The InChIKey is WUWZSGCKJKBEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c11-7-3-4-8(12)9(10(7)14)13-5-1-2-6-13/h3-4,14H,1-2,5-6H2.
What are the key properties of 6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol?
6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol has a molecular weight of 260.11 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol is sourced from PubChem (CID 168515676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).