(4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone

C11H11BrFNO — CID 174525460

IUPAC(4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1ccc(Br)cc1F)C1CCCN1
InChIInChI=1S/C11H11BrFNO/c12-7-3-4-8(9(13)6-7)11(15)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2
InChIKeyNQDLZGZHRPBDPL-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.52
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone

(4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone (PubChem CID 174525460) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone
PubChem CID174525460
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name(4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1ccc(Br)cc1F)C1CCCN1
InChIInChI=1S/C11H11BrFNO/c12-7-3-4-8(9(13)6-7)11(15)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2
InChIKeyNQDLZGZHRPBDPL-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone (CID 174525460) is (4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone is O=C(c1ccc(Br)cc1F)C1CCCN1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is NQDLZGZHRPBDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c12-7-3-4-8(9(13)6-7)11(15)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2.
What are the key properties of (4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone?
(4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 272.12 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 174525460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).