(5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone

C9H9BrClNO2 — CID 130531342

IUPAC(5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CC(CCl)C1
InChIInChI=1S/C9H9BrClNO2/c10-8-2-1-7(14-8)9(13)12-4-6(3-11)5-12/h1-2,6H,3-5H2
InChIKeyGMZQDZFKYIQEEH-UHFFFAOYSA-N
MW278.53 g/mol
LogP2.35
Rot. Bonds2

About (5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone

(5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone (PubChem CID 130531342) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone
PubChem CID130531342
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC Name(5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CC(CCl)C1
InChIInChI=1S/C9H9BrClNO2/c10-8-2-1-7(14-8)9(13)12-4-6(3-11)5-12/h1-2,6H,3-5H2
InChIKeyGMZQDZFKYIQEEH-UHFFFAOYSA-N
XLogP2.35
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662274
(5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone
CID 121164470
(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone
CID 163346718
(5-bromofuran-2-yl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 80678565
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108568304
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[(2S,5S)-4-(5-bromofuran-2-carbonyl)-2,5-dimethylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 1010202
[3-(bromomethyl)azetidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 130531455
(3aS,7aS)-2-[1-(5-bromofuran-2-carbonyl)azetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99989731
[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 112811867
(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone
CID 49008152
[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone
CID 130531402

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone (CID 130531342) is (5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CC(CCl)C1.
What is the InChIKey of (5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone?
The InChIKey is GMZQDZFKYIQEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c10-8-2-1-7(14-8)9(13)12-4-6(3-11)5-12/h1-2,6H,3-5H2.
What are the key properties of (5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone?
(5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone has a molecular weight of 278.53 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 130531342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).