3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine

C10H11ClFNO — CID 67173830

IUPAC3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine
SMILESON1CCC(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C10H11ClFNO/c11-9-2-1-7(5-10(9)12)8-3-4-13(14)6-8/h1-2,5,8,14H,3-4,6H2
InChIKeyILKQCPKKDMDJRA-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.66
Rot. Bonds1

About 3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine

3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine (PubChem CID 67173830) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine
PubChem CID67173830
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine
SMILESON1CCC(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C10H11ClFNO/c11-9-2-1-7(5-10(9)12)8-3-4-13(14)6-8/h1-2,5,8,14H,3-4,6H2
InChIKeyILKQCPKKDMDJRA-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine (CID 67173830) is 3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine is ON1CCC(c2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine?
The InChIKey is ILKQCPKKDMDJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-9-2-1-7(5-10(9)12)8-3-4-13(14)6-8/h1-2,5,8,14H,3-4,6H2.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine?
3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine has a molecular weight of 215.66 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-1-hydroxypyrrolidine is sourced from PubChem (CID 67173830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).