(4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone

C11H10BrF2NO — CID 64867682

IUPAC(4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1cc(F)c(Br)cc1F)C1CCCN1
InChIInChI=1S/C11H10BrF2NO/c12-7-5-8(13)6(4-9(7)14)11(16)10-2-1-3-15-10/h4-5,10,15H,1-3H2
InChIKeyKDWHSQZNMPABFM-UHFFFAOYSA-N
MW290.11 g/mol
LogP2.66
Rot. Bonds2

About (4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone

(4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone (PubChem CID 64867682) has the molecular formula C11H10BrF2NO and a molecular weight of 290.11 g/mol. Its IUPAC name is (4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone
PubChem CID64867682
Molecular FormulaC11H10BrF2NO
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name(4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1cc(F)c(Br)cc1F)C1CCCN1
InChIInChI=1S/C11H10BrF2NO/c12-7-5-8(13)6(4-9(7)14)11(16)10-2-1-3-15-10/h4-5,10,15H,1-3H2
InChIKeyKDWHSQZNMPABFM-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11220599
CID 11220599
CID 10354356
CID 10354356
CID 44542509
CID 44542509
CID 10421832
CID 10421832
CID 82100370
CID 82100370
CID 45141380
CID 45141380
CID 44543265
CID 44543265
CID 690699
CID 690699
CID 11515769
CID 11515769
CID 43227588
CID 43227588
CID 85614394
CID 85614394
CID 165361746
CID 165361746

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone (CID 64867682) is (4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone is O=C(c1cc(F)c(Br)cc1F)C1CCCN1.
What is the InChIKey of (4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is KDWHSQZNMPABFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2NO/c12-7-5-8(13)6(4-9(7)14)11(16)10-2-1-3-15-10/h4-5,10,15H,1-3H2.
What are the key properties of (4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone?
(4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 290.11 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-difluorophenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 64867682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).