2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol

C12H15ClFNO — CID 90695619

IUPAC2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol
SMILESCCN1CCC(O)C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFNO/c1-2-15-6-5-11(16)12(15)8-3-4-9(13)10(14)7-8/h3-4,7,11-12,16H,2,5-6H2,1H3
InChIKeySJEGXEIEZOUEKF-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.61
Rot. Bonds2

About 2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol

2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol (PubChem CID 90695619) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol
PubChem CID90695619
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol
SMILESCCN1CCC(O)C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFNO/c1-2-15-6-5-11(16)12(15)8-3-4-9(13)10(14)7-8/h3-4,7,11-12,16H,2,5-6H2,1H3
InChIKeySJEGXEIEZOUEKF-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol (CID 90695619) is 2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol is CCN1CCC(O)C1c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol?
The InChIKey is SJEGXEIEZOUEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-2-15-6-5-11(16)12(15)8-3-4-9(13)10(14)7-8/h3-4,7,11-12,16H,2,5-6H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol?
2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol has a molecular weight of 243.71 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-ethylpyrrolidin-3-ol is sourced from PubChem (CID 90695619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).