(5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone

C13H15BrFNO — CID 54885698

IUPAC(5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H15BrFNO/c1-2-10-4-3-7-16(10)13(17)11-8-9(14)5-6-12(11)15/h5-6,8,10H,2-4,7H2,1H3
InChIKeyZTBLHTIGWSRMPU-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.60
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone

(5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 54885698) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID54885698
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name(5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H15BrFNO/c1-2-10-4-3-7-16(10)13(17)11-8-9(14)5-6-12(11)15/h5-6,8,10H,2-4,7H2,1H3
InChIKeyZTBLHTIGWSRMPU-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone (CID 54885698) is (5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone is CCC1CCCN1C(=O)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is ZTBLHTIGWSRMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-2-10-4-3-7-16(10)13(17)11-8-9(14)5-6-12(11)15/h5-6,8,10H,2-4,7H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone?
(5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 300.17 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 54885698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).