(3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone

C9H4BrClO2S — CID 106683861

IUPAC(3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone
SMILESO=C(c1ccoc1Cl)c1sccc1Br
InChIInChI=1S/C9H4BrClO2S/c10-6-2-4-14-8(6)7(12)5-1-3-13-9(5)11/h1-4H
InChIKeyGZPNLARNSFPUPQ-UHFFFAOYSA-N
MW291.55 g/mol
LogP3.99
Rot. Bonds2

About (3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone

(3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone (PubChem CID 106683861) has the molecular formula C9H4BrClO2S and a molecular weight of 291.55 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone
PubChem CID106683861
Molecular FormulaC9H4BrClO2S
Molecular Weight291.55 g/mol
Exact Mass289.88
IUPAC Name(3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone
SMILESO=C(c1ccoc1Cl)c1sccc1Br
InChIInChI=1S/C9H4BrClO2S/c10-6-2-4-14-8(6)7(12)5-1-3-13-9(5)11/h1-4H
InChIKeyGZPNLARNSFPUPQ-UHFFFAOYSA-N
XLogP3.99
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.55
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone (CID 106683861) is (3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone is O=C(c1ccoc1Cl)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone?
The InChIKey is GZPNLARNSFPUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClO2S/c10-6-2-4-14-8(6)7(12)5-1-3-13-9(5)11/h1-4H.
What are the key properties of (3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone?
(3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone has a molecular weight of 291.55 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone is sourced from PubChem (CID 106683861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).