(3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone

C11H10BrF2NO — CID 106944034

IUPAC(3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone
SMILESO=C(c1c(F)ccc(Br)c1F)C1CCNC1
InChIInChI=1S/C11H10BrF2NO/c12-7-1-2-8(13)9(10(7)14)11(16)6-3-4-15-5-6/h1-2,6,15H,3-5H2
InChIKeyHZKQWWNKUABWEQ-UHFFFAOYSA-N
MW290.11 g/mol
LogP2.52
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone

(3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone (PubChem CID 106944034) has the molecular formula C11H10BrF2NO and a molecular weight of 290.11 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone
PubChem CID106944034
Molecular FormulaC11H10BrF2NO
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name(3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone
SMILESO=C(c1c(F)ccc(Br)c1F)C1CCNC1
InChIInChI=1S/C11H10BrF2NO/c12-7-1-2-8(13)9(10(7)14)11(16)6-3-4-15-5-6/h1-2,6,15H,3-5H2
InChIKeyHZKQWWNKUABWEQ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone
CID 106944077
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
azepan-2-yl-(3-bromo-2,6-difluorophenyl)methanone
CID 106944074
(3-bromo-2,6-difluorophenyl)-(3-methylcyclohexyl)methanone
CID 106941683
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
(3-bromo-2,6-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 106944119
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
CID 106647090
(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
CID 116568315
(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
CID 107129727
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone (CID 106944034) is (3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone is O=C(c1c(F)ccc(Br)c1F)C1CCNC1.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone?
The InChIKey is HZKQWWNKUABWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2NO/c12-7-1-2-8(13)9(10(7)14)11(16)6-3-4-15-5-6/h1-2,6,15H,3-5H2.
What are the key properties of (3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone?
(3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone has a molecular weight of 290.11 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 (3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 106944034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).