(3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone

C11H11ClFNO — CID 82494738

IUPAC(3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1ccc(F)c(Cl)c1)C1CCCN1
InChIInChI=1S/C11H11ClFNO/c12-8-6-7(3-4-9(8)13)11(15)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2
InChIKeyCCIOKWWTKKRICQ-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.41
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone

(3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone (PubChem CID 82494738) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone
PubChem CID82494738
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name(3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1ccc(F)c(Cl)c1)C1CCCN1
InChIInChI=1S/C11H11ClFNO/c12-8-6-7(3-4-9(8)13)11(15)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2
InChIKeyCCIOKWWTKKRICQ-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone (CID 82494738) is (3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone is O=C(c1ccc(F)c(Cl)c1)C1CCCN1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is CCIOKWWTKKRICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-8-6-7(3-4-9(8)13)11(15)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2.
What are the key properties of (3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone?
(3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 227.67 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82494738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).