(2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

C13H15BrFNO2 — CID 129031193

IUPAC(2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C13H15BrFNO2/c1-18-8-10-3-2-6-16(10)13(17)11-7-9(15)4-5-12(11)14/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyAEMJTHFTMFJNSW-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.84
Rot. Bonds3

About (2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

(2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 129031193) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID129031193
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name(2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C13H15BrFNO2/c1-18-8-10-3-2-6-16(10)13(17)11-7-9(15)4-5-12(11)14/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyAEMJTHFTMFJNSW-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 129031193) is (2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCCN1C(=O)c1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is AEMJTHFTMFJNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-18-8-10-3-2-6-16(10)13(17)11-7-9(15)4-5-12(11)14/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
(2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 316.17 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129031193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).