azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone

C10H8BrF2NO — CID 106944077

IUPACazetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)ccc(Br)c1F)C1CNC1
InChIInChI=1S/C10H8BrF2NO/c11-6-1-2-7(12)8(9(6)13)10(15)5-3-14-4-5/h1-2,5,14H,3-4H2
InChIKeySWCVNXCUERCBRO-UHFFFAOYSA-N
MW276.08 g/mol
LogP2.13
Rot. Bonds2

About azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone

azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone (PubChem CID 106944077) has the molecular formula C10H8BrF2NO and a molecular weight of 276.08 g/mol. Its IUPAC name is azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone
PubChem CID106944077
Molecular FormulaC10H8BrF2NO
Molecular Weight276.08 g/mol
Exact Mass274.98
IUPAC Nameazetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)ccc(Br)c1F)C1CNC1
InChIInChI=1S/C10H8BrF2NO/c11-6-1-2-7(12)8(9(6)13)10(15)5-3-14-4-5/h1-2,5,14H,3-4H2
InChIKeySWCVNXCUERCBRO-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 52.13
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

(3-bromo-2,6-difluorophenyl)-pyrrolidin-3-ylmethanone
CID 106944034
(3-bromo-2,6-difluorophenyl)-(3-methylcyclohexyl)methanone
CID 106941683
azepan-2-yl-(3-bromo-2,6-difluorophenyl)methanone
CID 106944074
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
(3-bromo-2,6-difluorophenyl)-(1,4-dithian-2-yl)methanone
CID 106941806
(3-bromo-2,6-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 106944119
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-bromo-2,6-difluorophenyl)ethanone
CID 106944089
(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
1-(3-bromo-2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 106944374
(2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone
CID 116572685
N-(2-bromo-5-chlorophenyl)azetidine-3-carboxamide
CID 81271143
azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 116583692

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone?
The IUPAC name of azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone (CID 106944077) is azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone.
What is the SMILES notation for azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone?
The canonical SMILES for azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone is O=C(c1c(F)ccc(Br)c1F)C1CNC1.
What is the InChIKey of azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone?
The InChIKey is SWCVNXCUERCBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2NO/c11-6-1-2-7(12)8(9(6)13)10(15)5-3-14-4-5/h1-2,5,14H,3-4H2.
What are the key properties of azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone?
azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone has a molecular weight of 276.08 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone is sourced from PubChem (CID 106944077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).