3-chloro-2-fluoro-5-piperidin-4-ylphenol

C11H13ClFNO — CID 84793263

IUPAC3-chloro-2-fluoro-5-piperidin-4-ylphenol
SMILESOc1cc(C2CCNCC2)cc(Cl)c1F
InChIInChI=1S/C11H13ClFNO/c12-9-5-8(6-10(15)11(9)13)7-1-3-14-4-2-7/h5-7,14-15H,1-4H2
InChIKeySJKZTYWQOMPLHR-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.65
Rot. Bonds1

About 3-chloro-2-fluoro-5-piperidin-4-ylphenol

3-chloro-2-fluoro-5-piperidin-4-ylphenol (PubChem CID 84793263) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-chloro-2-fluoro-5-piperidin-4-ylphenol.

Molecular Properties

Compound Name3-chloro-2-fluoro-5-piperidin-4-ylphenol
PubChem CID84793263
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-chloro-2-fluoro-5-piperidin-4-ylphenol
SMILESOc1cc(C2CCNCC2)cc(Cl)c1F
InChIInChI=1S/C11H13ClFNO/c12-9-5-8(6-10(15)11(9)13)7-1-3-14-4-2-7/h5-7,14-15H,1-4H2
InChIKeySJKZTYWQOMPLHR-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-5-piperidin-4-ylphenol?
The IUPAC name of 3-chloro-2-fluoro-5-piperidin-4-ylphenol (CID 84793263) is 3-chloro-2-fluoro-5-piperidin-4-ylphenol.
What is the SMILES notation for 3-chloro-2-fluoro-5-piperidin-4-ylphenol?
The canonical SMILES for 3-chloro-2-fluoro-5-piperidin-4-ylphenol is Oc1cc(C2CCNCC2)cc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-5-piperidin-4-ylphenol?
The InChIKey is SJKZTYWQOMPLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-9-5-8(6-10(15)11(9)13)7-1-3-14-4-2-7/h5-7,14-15H,1-4H2.
What are the key properties of 3-chloro-2-fluoro-5-piperidin-4-ylphenol?
3-chloro-2-fluoro-5-piperidin-4-ylphenol has a molecular weight of 229.68 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-5-piperidin-4-ylphenol is sourced from PubChem (CID 84793263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).