(5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone

C11H11ClFNO — CID 82494739

IUPAC(5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1cc(Cl)ccc1F)C1CCCN1
InChIInChI=1S/C11H11ClFNO/c12-7-3-4-9(13)8(6-7)11(15)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2
InChIKeyGGTOYUOGOLWAFM-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.41
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone

(5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone (PubChem CID 82494739) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone
PubChem CID82494739
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name(5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1cc(Cl)ccc1F)C1CCCN1
InChIInChI=1S/C11H11ClFNO/c12-7-3-4-9(13)8(6-7)11(15)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2
InChIKeyGGTOYUOGOLWAFM-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 (5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone (CID 82494739) is (5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone is O=C(c1cc(Cl)ccc1F)C1CCCN1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is GGTOYUOGOLWAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-7-3-4-9(13)8(6-7)11(15)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2.
What are the key properties of (5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone?
(5-chloro-2-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 (5-chloro-2-fluorophenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82494739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).