2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone

C12H13ClFNO — CID 974099

IUPAC2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCCC1
InChIInChI=1S/C12H13ClFNO/c13-10-4-3-5-11(14)9(10)8-12(16)15-6-1-2-7-15/h3-5H,1-2,6-8H2
InChIKeyBPHRJUBBFCXQJH-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.64
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone

2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone (PubChem CID 974099) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone
PubChem CID974099
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCCC1
InChIInChI=1S/C12H13ClFNO/c13-10-4-3-5-11(14)9(10)8-12(16)15-6-1-2-7-15/h3-5H,1-2,6-8H2
InChIKeyBPHRJUBBFCXQJH-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone (CID 974099) is 2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone is O=C(Cc1c(F)cccc1Cl)N1CCCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is BPHRJUBBFCXQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-10-4-3-5-11(14)9(10)8-12(16)15-6-1-2-7-15/h3-5H,1-2,6-8H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone?
2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 241.69 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 974099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).