(4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone

C11H10BrClFNO — CID 67278263

IUPAC(4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(F)c(Br)cc1Cl)N1CCCC1
InChIInChI=1S/C11H10BrClFNO/c12-8-6-9(13)7(5-10(8)14)11(16)15-3-1-2-4-15/h5-6H,1-4H2
InChIKeyKCXIVFPVMNOQPF-UHFFFAOYSA-N
MW306.56 g/mol
LogP3.48
Rot. Bonds1

About (4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone

(4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 67278263) has the molecular formula C11H10BrClFNO and a molecular weight of 306.56 g/mol. Its IUPAC name is (4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone
PubChem CID67278263
Molecular FormulaC11H10BrClFNO
Molecular Weight306.56 g/mol
Exact Mass304.96
IUPAC Name(4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(F)c(Br)cc1Cl)N1CCCC1
InChIInChI=1S/C11H10BrClFNO/c12-8-6-9(13)7(5-10(8)14)11(16)15-3-1-2-4-15/h5-6H,1-4H2
InChIKeyKCXIVFPVMNOQPF-UHFFFAOYSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.56
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone (CID 67278263) is (4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone is O=C(c1cc(F)c(Br)cc1Cl)N1CCCC1.
What is the InChIKey of (4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is KCXIVFPVMNOQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFNO/c12-8-6-9(13)7(5-10(8)14)11(16)15-3-1-2-4-15/h5-6H,1-4H2.
What are the key properties of (4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone?
(4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 306.56 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chloro-5-fluorophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 67278263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).